All rules > rule id: 804832

Reaction SMARTS

[#8+0:1]-[#6+0:2](-[#6+0:3](-[#8+0:4]-[#1+0:27])(-[#6+0:5](-[#8+0:6])(-[#1,#6;+0:7])-[#1,#6;+0:8])-[#6+0:12]1=[#7+:11](-[#6+0:15]=[#6+0:14]-[#16+0:13]-1)-[#6+0:16])(-[#6,#1;+0:9])-[#1,#6;+0:10].[#7+0:17]1=[#6+0:18](-[#7+0:19](-[#6+0:20](-[#1+0:21])=[#6+0:24](-[#6+0:23]-1=[#7+0:26]-[#1+0:28])-[#6+0:25](-[#7+:29])(-[#1,#6;+0:30])-[#1,#6;+0:31])-[#1+0:33])-[#6,#1;+0:22].[#8-:32]-[#6+0:34](=[#8+0:35])-[#6,#1;+0:36]>>[#8+0:1]-[#6+0:2](-[#6+0:3](=[#8+0:4])-[#6+0:5](-[#8+0:6])(-[#1,#6;+0:7])-[#1,#6;+0:8])(-[#6,#1;+0:9])-[#1,#6;+0:10].[#7+:11]1(=[#6-:12]-[#16+0:13]-[#6+0:14]=[#6+0:15]-1)-[#6+0:16].[#7+0:17]1=[#6+0:18](-[#7+0:19]=[#6+0:20](-[#1+0:21])-[#6+0:24](=[#6+0:23]-1-[#7+0:26](-[#1+0:27])-[#1+0:28])-[#6+0:25](-[#7+:29])(-[#1,#6;+0:30])-[#1,#6;+0:31])-[#6,#1;+0:22].[#8+0:32](-[#1+0:33])-[#6+0:34](=[#8+0:35])-[#6,#1;+0:36]

Simplified SMARTS

OC(C(O[H])(C(O)(*)*)C1=[N+](C)C=CS1)(*)*.N1=C(*)N([H])C([H])=C(C([NH3+])(*)*)C1=N[H].[O-]C(=O)*>>OC(C(=O)C(O)(*)*)(*)*.[N+]1(C)=[C-]SC=C1.N1=C(*)N=C([H])C(C([NH3+])(*)*)=C1N([H])[H].O([H])C(=O)*

Rule Set Version: 0.2
→

Complete rule seen in 2 catalytic steps

m-csa:219 - transketolase - mechanism: 1 - step: 5
m-csa:219 - transketolase - mechanism: 1 - step: 2

Rule partially seen in 27 catalytic steps

m-csa:106 - pyruvate dehydrogenase (acetyl-transferring) - mechanism: 1 - step: 7
m-csa:106 - pyruvate dehydrogenase (acetyl-transferring) - mechanism: 1 - step: 1
m-csa:215 - pyruvate decarboxylase - mechanism: 1 - step: 2
m-csa:215 - pyruvate decarboxylase - mechanism: 1 - step: 6
m-csa:215 - pyruvate decarboxylase - mechanism: 1 - step: 5
m-csa:215 - pyruvate decarboxylase - mechanism: 1 - step: 1
m-csa:219 - transketolase - mechanism: 1 - step: 6
m-csa:219 - transketolase - mechanism: 2 - step: 5
m-csa:219 - transketolase - mechanism: 1 - step: 1
m-csa:220 - benzoylformate decarboxylase - mechanism: 1 - step: 1
m-csa:220 - benzoylformate decarboxylase - mechanism: 1 - step: 6
m-csa:221 - benzoin aldolase - mechanism: 1 - step: 1
m-csa:221 - benzoin aldolase - mechanism: 1 - step: 6
m-csa:274 - pyruvate oxidase - mechanism: 1 - step: 1
m-csa:274 - pyruvate oxidase - mechanism: 1 - step: 2
m-csa:275 - pyruvate dehydrogenase (cytochrome) - mechanism: 1 - step: 2
m-csa:275 - pyruvate dehydrogenase (cytochrome) - mechanism: 1 - step: 1
m-csa:280 - 3-methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring) - mechanism: 1 - step: 3
m-csa:280 - 3-methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring) - mechanism: 1 - step: 1
m-csa:289 - acetolactate synthase (biosynthetic) - mechanism: 1 - step: 1
m-csa:289 - acetolactate synthase (biosynthetic) - mechanism: 1 - step: 2
m-csa:333 - 1-deoxy-D-xylulose 5-phosphate synthase - mechanism: 1 - step: 2
m-csa:333 - 1-deoxy-D-xylulose 5-phosphate synthase - mechanism: 1 - step: 1
m-csa:367 - N(2)-(2-carboxyethyl)arginine synthase - mechanism: 2 - step: 1
m-csa:367 - N(2)-(2-carboxyethyl)arginine synthase - mechanism: 2 - step: 3
m-csa:367 - N(2)-(2-carboxyethyl)arginine synthase - mechanism: 2 - step: 4
m-csa:367 - N(2)-(2-carboxyethyl)arginine synthase - mechanism: 2 - step: 2