EVODEX.1-P5454

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([Cl:18]):[C:19]([H:26]):[C:20]:1[H:27])([H:28])[H:29])([C:21](=[O:22])[O:23][H:30])[H:31])[H:32].[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:34]):[C:7]([H:35]):[C:8]([H:36]):[C:9]([H:37]):[C:10]:1[H:38])([H:39])[H:40])([H:41])[H:42]>>[C:2](=[O:3])([C:4]([C:5]1:[C:6]([H:34]):[C:7]([H:35]):[C:8]([H:36]):[C:9]([H:37]):[C:10]:1[H:38])([H:39])[H:40])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([Cl:18]):[C:19]([H:26]):[C:20]:1[H:27])([H:28])[H:29])([C:21](=[O:22])[O:23][H:30])[H:31])[H:32].[H][N:1]([H:41])[H:42]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E182 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:11](-[#6@@:12])(-[H:33])-[H].[#7:1](-[#6:2](=[#8:3])-[#6:4])(-[H:42])-[H:43]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11](-[#6@@:12])-[H:33].[#7:1](-[H:42])(-[H:43])-[H]

EVODEX.1-C13 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-N427 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:11](-[#6@@:12])-[H:32].[#7:1](-[#6:2](=[#8:3])-[#6:4])(-[H:41])-[H:42]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11](-[#6@@:12])-[H:32].[H]-[#7:1](-[H:41])-[H:42]

EVODEX.1-Em470 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:11]-[#6:12].[#7:1]-[#6:2](=[#8:3])-[#6:4]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11]-[#6:12].[H]-[#7:1]

EVODEX.1-Cm47 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-Nm421 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:11]-[#6:12].[#7:1]-[#6:2](=[#8:3])-[#6:4]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11]-[#6:12].[H]-[#7:1]

Source Full Reactions

EVODEX.1-R6200

Full Reaction Rendering

[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([Cl:18]):[C:19]([H:26]):[C:20]:1[H:27])([H:28])[H:29])([C:21](=[O:22])[O:23][H:30])[H:31])[H:32].[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:34]):[C:7]([H:35]):[C:8]([H:36]):[C:9]([H:37]):[C:10]:1[H:38])([H:39])[H:40])([H:41])[H:42]>>[C:2](=[O:3])([C:4]([C:5]1:[C:6]([H:34]):[C:7]([H:35]):[C:8]([H:36]):[C:9]([H:37]):[C:10]:1[H:38])([H:39])[H:40])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([Cl:18]):[C:19]([H:26]):[C:20]:1[H:27])([H:28])[H:29])([C:21](=[O:22])[O:23][H:30])[H:31])[H:32].[H][N:1]([H:41])[H:42]