All rules > rule id: 801185

Reaction SMARTS

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

Simplified SMARTS

[N+]([H])([H])(C(*)(*)*)[H].N1=C([H])N([H])C(*)=C1*.[O-]C(=O)*>>N([H])([H])C(*)(*)*.[H]N1C(*)=C(*)N=C1[H].O([H])C(=O)*

Rule Set Version: 0.2
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Complete rule seen in 2 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

Rule partially seen in 15 catalytic steps

m-csa:54 - 3-dehydroquinate dehydratase (type I) - mechanism: 1 - step: 5
m-csa:54 - 3-dehydroquinate dehydratase (type I) - mechanism: 1 - step: 7
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: 2
m-csa:67 - alanine dehydrogenase - mechanism: 1 - step: 4
m-csa:73 - 4a-hydroxytetrahydrobiopterin dehydratase - mechanism: 1 - step: 4
m-csa:73 - 4a-hydroxytetrahydrobiopterin dehydratase - mechanism: 1 - step: 1
m-csa:87 - urease - mechanism: 4 - step: 1
m-csa:87 - urease - mechanism: 2 - step: 1
m-csa:87 - urease - mechanism: 2 - step: 2
m-csa:118 - urate oxidase - mechanism: 1 - step: 1
m-csa:141 - 4-cresol dehydrogenase (hydroxylating) - mechanism: 1 - step: 2
m-csa:159 - aryldialkylphosphatase - mechanism: 1 - step: 2
m-csa:159 - aryldialkylphosphatase - mechanism: 1 - step: 5