All rules > rule id: 803263

Reaction SMARTS

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

Simplified SMARTS

C1([H])([H])C(*)=C(*)N(C(*)(*)*)C([H])=C1C(=O)N.S(C(C(*)(*)*)=O)C>>C1([H])=C(C(=O)N)C([H])=[N+](C(*)(*)*)C(*)=C1*.[H]C(SC)(C(*)(*)*)[O-]

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

Rule partially seen in 7 catalytic steps

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m-csa:93 - hydroxymethylglutaryl-CoA reductase (NADPH) - mechanism: 3 - step: 1
m-csa:93 - hydroxymethylglutaryl-CoA reductase (NADPH) - mechanism: 2 - step: 1
m-csa:717 - ornithine cyclodeaminase - mechanism: 1 - step: 4
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m-csa:803 - aldehyde dehydrogenase (NAD+) (class 2) - mechanism: 1 - step: 3
m-csa:977 - tryptophan 7-halogenase - mechanism: 1 - step: 1