EVODEX.1-P5201

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([H:22])[H:23].[N:2](=[C:3]([N:4]([H:25])[H:26])[N:5]([C:6]([C:7]([C:8]([C@:9]([N:10]([C:11](=[O:12])[C:13]1:[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]([H:30]):[C:18]:1[H:31])[H:32])([C:19](=[O:20])[O:21][H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[H:41])[H:42]>>[N:1]([C:19]([C@:9]([C:8]([C:7]([C:6]([N:5]([C:3](=[N:2][H:42])[N:4]([H:25])[H:26])[H:41])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([N:10]([C:11](=[O:12])[C:13]1:[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]([H:30]):[C:18]:1[H:31])[H:32])[H:34])=[O:20])([H:22])[H:23].[H][O:21][H:33]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E102 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](=[#8:6])-[#8:7]-[H:8].[#7:1](-[H:11])(-[H:12])-[H]>>[#7:1](-[#6:5](-[#6:4])=[#8:6])(-[H:11])-[H:12].[#8:7](-[H:8])-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N808 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6:7](=[#8:8])-[#8:9]-[H:14].[H]-[#7:1](-[H:19])-[H:20]>>[#7:1](-[#6:7](-[#6:6])=[#8:8])(-[H:19])-[H:20].[H]-[#8:9]-[H:14]

EVODEX.1-Em655 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:1]>>[#7:1]-[#6:7](-[#6:6])=[#8:8].[H]-[#8:9]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm588 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:1]>>[#7:1]-[#6:7](-[#6:6])=[#8:8].[H]-[#8:9]

Source Full Reactions

EVODEX.1-R5962

Full Reaction Rendering

[H][N:1]([H:22])[H:23].[N:2](=[C:3]([N:4]([H:25])[H:26])[N:5]([C:6]([C:7]([C:8]([C@:9]([N:10]([C:11](=[O:12])[C:13]1:[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]([H:30]):[C:18]:1[H:31])[H:32])([C:19](=[O:20])[O:21][H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[H:41])[H:42]>>[N:1]([C:19]([C@:9]([C:8]([C:7]([C:6]([N:5]([C:3](=[N:2][H:42])[N:4]([H:25])[H:26])[H:41])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([N:10]([C:11](=[O:12])[C:13]1:[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]([H:30]):[C:18]:1[H:31])[H:32])[H:34])=[O:20])([H:22])[H:23].[H][O:21][H:33]