All rules > rule id: 800337

Reaction SMARTS

[#8+0:1](-[#1+0:2])-[#1+0:11].[#6+0:3](-[#6+0:4](-[#1,#6;+0:5])(-[#1,#6;+0:6])-[#1,#6;+0:7])(=[#8+0:8])-[#8+0:9]-[#6+0:10].[#7+0:12]1-[#6+0:13](-[#6,#1;+0:14])=[#6+0:15]-[#7+0:18]-[#6+0:16]=1-[#1,#6;+0:17]>>[#8+0:1](-[#1+0:2])-[#6+0:3](-[#6+0:4](-[#1,#6;+0:5])(-[#1,#6;+0:6])-[#1,#6;+0:7])(-[#8-:8])-[#8+0:9]-[#6+0:10].[#1+0:11]-[#7+:12]1-[#6+0:13](-[#6,#1;+0:14])=[#6+0:15]-[#7+0:18]-[#6+0:16]=1-[#1,#6;+0:17]

Simplified SMARTS

O([H])[H].C(C(*)(*)*)(=O)OC.N1=C(*)NC=C1*>>O([H])C(C(*)(*)*)([O-])OC.[H][N+]1=C(*)NC=C1*

Rule Set Version: 0.2
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Complete rule seen in 23 catalytic steps

m-csa:5 - carboxypeptidase D - mechanism: 1 - step: 4
m-csa:24 - 4-chlorobenzoyl-CoA dehalogenase - mechanism: 1 - step: 3
m-csa:83 - phospholipase A2 (group IB) - mechanism: 1 - step: 1
m-csa:94 - 1-alkyl-2-acetylglycerophosphocholine esterase - mechanism: 1 - step: 4
m-csa:218 - triacylglycerol lipase (pancreatic) - mechanism: 1 - step: 3
m-csa:248 - chloride peroxidase (cofactor free) - mechanism: 1 - step: 2
m-csa:337 - protein-glutamate methylesterase (CheB) - mechanism: 1 - step: 3
m-csa:407 - carboxylesterase - mechanism: 1 - step: 3
m-csa:518 - triacylglycerol lipase (EstA) - mechanism: 1 - step: 3
m-csa:519 - triacylglycerol lipase (Pseudomonas family) - mechanism: 1 - step: 3
m-csa:520 - triacylglycerol lipase (type B carboxylestrase) - mechanism: 1 - step: 3
m-csa:523 - palmitoyl[protein] hydrolase (type 2) - mechanism: 1 - step: 3
m-csa:528 - phospholipase A2 (prokaryotic/fungal) - mechanism: 1 - step: 1
m-csa:556 - esterase (estA) - mechanism: 1 - step: 3
m-csa:631 - cutinase - mechanism: 1 - step: 3
m-csa:650 - phospholipase A1 - mechanism: 1 - step: 3
m-csa:705 - rhamnogalacturonan acetylesterase - mechanism: 1 - step: 3
m-csa:733 - esterase - mechanism: 1 - step: 3
m-csa:755 - lysophospholipase - mechanism: 1 - step: 3
m-csa:847 - epoxide hydrolase - mechanism: 1 - step: 2
m-csa:866 - cephalosporin-C deacetylase - mechanism: 1 - step: 3
m-csa:900 - para-nitrobenzyl esterase - mechanism: 1 - step: 4
m-csa:922 - acetylcholinesterase - mechanism: 1 - step: 3

Rule partially seen in 23 catalytic steps

m-csa:83 - phospholipase A2 (group IB) - mechanism: 1 - step: 2
m-csa:94 - 1-alkyl-2-acetylglycerophosphocholine esterase - mechanism: 1 - step: 5
m-csa:218 - triacylglycerol lipase (pancreatic) - mechanism: 1 - step: 4
m-csa:266 - N4-(beta-N-acetylglucosaminyl)-L-asparaginase - mechanism: 1 - step: 3
m-csa:288 - glutaryl-7-aminocephalosporanic-acid acylase - mechanism: 1 - step: 4
m-csa:301 - glutaminase - mechanism: 1 - step: 3
m-csa:345 - 3-hydroxyisobutyryl-CoA hydrolase - mechanism: 1 - step: 3
m-csa:455 - asparaginase - mechanism: 2 - step: 3
m-csa:518 - triacylglycerol lipase (EstA) - mechanism: 1 - step: 4
m-csa:519 - triacylglycerol lipase (Pseudomonas family) - mechanism: 1 - step: 4
m-csa:520 - triacylglycerol lipase (type B carboxylestrase) - mechanism: 1 - step: 4
m-csa:528 - phospholipase A2 (prokaryotic/fungal) - mechanism: 1 - step: 2
m-csa:529 - phospholipase A2 (group group IVA) - mechanism: 1 - step: 3
m-csa:556 - esterase (estA) - mechanism: 1 - step: 4
m-csa:631 - cutinase - mechanism: 1 - step: 4
m-csa:650 - phospholipase A1 - mechanism: 1 - step: 4
m-csa:705 - rhamnogalacturonan acetylesterase - mechanism: 1 - step: 4
m-csa:726 - peptide amidase - mechanism: 2 - step: 5
m-csa:731 - fatty acid amide hydrolase - mechanism: 1 - step: 4
m-csa:740 - arylesterase - mechanism: 1 - step: 1
m-csa:755 - lysophospholipase - mechanism: 1 - step: 4
m-csa:841 - penicillin amidase (peptidase S45 family) - mechanism: 1 - step: 3
m-csa:866 - cephalosporin-C deacetylase - mechanism: 1 - step: 4