All rules > rule id: 800211

Reaction SMARTS

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

Simplified SMARTS

C1=C(*)[N+]([H])=C(*)N1.C(*)(*)(*)C(=O)C([O-])=O.[H]N1C2=C(N=C([O-])N([H])C2=O)N(C)CC1=C>>C1=C(*)N=C(*)N1.C(*)(*)(*)C(O[H])([H])C([O-])=O.C1(=O)N=C2N(C)CC(=C)N=C2C(=O)N1[H]

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

Rule partially seen in 6 catalytic steps

m-csa:3 - NAD(P)H dehydrogenase (quinone) - mechanism: 1 - step: 1
m-csa:6 - glutathione-disulfide reductase - mechanism: 1 - step: 1
m-csa:68 - isovaleryl-CoA dehydrogenase - mechanism: 1 - step: 1
m-csa:102 - L-lactate dehydrogenase (cytochrome) - mechanism: 1 - step: 1
m-csa:141 - 4-cresol dehydrogenase (hydroxylating) - mechanism: 1 - step: 1
m-csa:584 - L-lactate dehydrogenase - mechanism: 1 - step: 1