All rules > rule id: 799218

Reaction SMARTS

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

Simplified SMARTS

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

Rule Set Version: 0.2
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Complete rule seen in 0 catalytic steps

Rule partially seen in 17 catalytic steps

m-csa:54 - 3-dehydroquinate dehydratase (type I) - mechanism: 1 - step: 9
m-csa:54 - 3-dehydroquinate dehydratase (type I) - mechanism: 1 - step: 1
m-csa:54 - 3-dehydroquinate dehydratase (type I) - mechanism: 1 - step: 4
m-csa:54 - 3-dehydroquinate dehydratase (type I) - mechanism: 1 - step: 6
m-csa:67 - alanine dehydrogenase - mechanism: 1 - step: 4
m-csa:73 - 4a-hydroxytetrahydrobiopterin dehydratase - mechanism: 1 - step: 4
m-csa:87 - urease - mechanism: 2 - step: 2
m-csa:90 - adenosylhomocysteinase - mechanism: 1 - step: 1
m-csa:118 - urate oxidase - mechanism: 1 - step: 1
m-csa:120 - methylenetetrahydrofolate reductase [NAD(P)H] - mechanism: 1 - step: 2
m-csa:141 - 4-cresol dehydrogenase (hydroxylating) - mechanism: 1 - step: 2
m-csa:141 - 4-cresol dehydrogenase (hydroxylating) - mechanism: 1 - step: 1
m-csa:182 - methylisocitrate lyase - mechanism: 4 - step: 3
m-csa:320 - sulfide:quinone oxidoreductase - mechanism: 1 - step: 3
m-csa:320 - sulfide:quinone oxidoreductase - mechanism: 1 - step: 1
m-csa:366 - DNA topoisomerase I (type 1A) - mechanism: 2 - step: 3
m-csa:366 - DNA topoisomerase I (type 1A) - mechanism: 2 - step: 2