All rules > rule id: 804887

Reaction SMARTS

[#7+0:1]1=[#6+0:2](-[#7+0:3](-[#6+0:4](-[#1+0:5])=[#6+0:8](-[#6+0:7]-1=[#7+0:10]-[#1+0:12])-[#6+0:9](-[#7+:13]1=[#6+0:16](-[#1+0:11])-[#16+0:17]-[#6+0:18]=[#6+0:19]-1)(-[#1,#6;+0:14])-[#1,#6;+0:15])-[#1+0:21])-[#6,#1;+0:6].[#8-:20]-[#6+0:22](=[#8+0:23])-[#6,#1;+0:24]>>[#7+0:1]1=[#6+0:2](-[#7+0:3]=[#6+0:4](-[#1+0:5])-[#6+0:8](=[#6+0:7]-1-[#7+0:10](-[#1+0:11])-[#1+0:12])-[#6+0:9](-[#7+:13]1=[#6-:16]-[#16+0:17]-[#6+0:18]=[#6+0:19]-1)(-[#1,#6;+0:14])-[#1,#6;+0:15])-[#6,#1;+0:6].[#8+0:20](-[#1+0:21])-[#6+0:22](=[#8+0:23])-[#6,#1;+0:24]

Simplified SMARTS

N1=C(*)N([H])C([H])=C(C([N+]2=C([H])SC=C2)(*)*)C1=N[H].[O-]C(=O)*>>N1=C(*)N=C([H])C(C([N+]2=[C-]SC=C2)(*)*)=C1N([H])[H].O([H])C(=O)*

Rule Set Version: 0.2
→

Complete rule seen in 16 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: 1
m-csa:215 - pyruvate decarboxylase - mechanism: 1 - step: 6
m-csa:219 - transketolase - mechanism: 1 - step: 1
m-csa:219 - transketolase - mechanism: 1 - step: 6
m-csa:220 - benzoylformate decarboxylase - mechanism: 1 - step: 6
m-csa:220 - benzoylformate decarboxylase - mechanism: 1 - step: 1
m-csa:221 - benzoin aldolase - mechanism: 1 - step: 6
m-csa:221 - benzoin aldolase - mechanism: 1 - step: 1
m-csa:274 - pyruvate oxidase - mechanism: 1 - step: 1
m-csa:275 - pyruvate dehydrogenase (cytochrome) - mechanism: 1 - step: 1
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: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

Rule partially seen in 14 catalytic steps

m-csa:119 - pyruvate:ferredoxin oxidoreducatse - mechanism: 1 - step: 1
m-csa:215 - pyruvate decarboxylase - mechanism: 1 - step: 2
m-csa:215 - pyruvate decarboxylase - mechanism: 1 - step: 5
m-csa:219 - transketolase - mechanism: 1 - step: 2
m-csa:219 - transketolase - mechanism: 1 - step: 5
m-csa:274 - pyruvate oxidase - mechanism: 1 - step: 2
m-csa:275 - pyruvate dehydrogenase (cytochrome) - mechanism: 1 - step: 2
m-csa:280 - 3-methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring) - mechanism: 1 - step: 3
m-csa:289 - acetolactate synthase (biosynthetic) - mechanism: 1 - step: 2
m-csa:298 - tartronate-semialdehyde synthase - mechanism: 1 - step: 1
m-csa:333 - 1-deoxy-D-xylulose 5-phosphate synthase - mechanism: 1 - step: 2
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