All rules > rule id: 800339

Reaction SMARTS

[#6+0:1](-[#6,#1;+0:2])(-[#8+0:3]-[#1+0:14])(-[#1,#6;+0:12])-[#6,#1;+0:13].[#6+0:4](=[#8+0:5])(-[#6+0:6](-[#1,#6;+0:7])(-[#1,#6;+0:8])-[#1,#6;+0:9])-[#8+0:10]-[#1+0:11].[#7+0:15]1-[#6+0:16](-[#6,#1;+0:17])=[#6+0:18]-[#7+0:21]-[#6+0:19]=1-[#1,#6;+0:20]>>[#6+0:1](-[#6,#1;+0:2])(-[#8+0:3]-[#6+0:4](-[#8-:5])(-[#6+0:6](-[#1,#6;+0:7])(-[#1,#6;+0:8])-[#1,#6;+0:9])-[#8+0:10]-[#1+0:11])(-[#1,#6;+0:12])-[#6,#1;+0:13].[#1+0:14]-[#7+:15]1-[#6+0:16](-[#6,#1;+0:17])=[#6+0:18]-[#7+0:21]-[#6+0:19]=1-[#1,#6;+0:20]

Simplified SMARTS

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

Rule Set Version: 0.2
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Complete rule seen in 21 catalytic steps

m-csa:5 - carboxypeptidase D - mechanism: 1 - step: 5
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:248 - chloride peroxidase (cofactor free) - mechanism: 1 - step: 1
m-csa:337 - protein-glutamate methylesterase (CheB) - mechanism: 1 - step: 4
m-csa:407 - carboxylesterase - mechanism: 1 - step: 4
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:523 - palmitoyl[protein] hydrolase (type 2) - mechanism: 1 - step: 4
m-csa:528 - phospholipase A2 (prokaryotic/fungal) - mechanism: 1 - step: 2
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:733 - esterase - mechanism: 1 - step: 4
m-csa:755 - lysophospholipase - mechanism: 1 - step: 4
m-csa:866 - cephalosporin-C deacetylase - mechanism: 1 - step: 4
m-csa:900 - para-nitrobenzyl esterase - mechanism: 1 - step: 5
m-csa:922 - acetylcholinesterase - mechanism: 1 - step: 4

Rule partially seen in 2 catalytic steps

m-csa:24 - 4-chlorobenzoyl-CoA dehalogenase - mechanism: 1 - step: 4
m-csa:248 - chloride peroxidase (cofactor free) - mechanism: 1 - step: 2