EVODEX.1-P5460

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]1:[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]([H:27]):[C:11]:1[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]:1[H:38])([H:39])[H:40])([C:21](=[O:22])[O:23][H:41])[H:42])[H:43]>>[C:3](=[O:4])([C:5]([C:6]1:[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]([H:27]):[C:11]:1[H:28])([H:29])[H:30])[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]:1[H:38])([H:39])[H:40])([C:21](=[O:22])[O:23][H:41])[H:42])[H:43].[H][O:2][C:1]([H:31])([H:32])[H:33]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E209 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:14]-[#8:15]-[#6:16](=[#8:17])-[#6@:18].[#6:12]-[#7:13](-[H:42])-[H]>>[#6:14]-[#8:15]-[H].[#6:12]-[#7:13](-[#6:16](=[#8:17])-[#6@:18])-[H:42]

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-N85 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12](-[#6@@:13])-[H:43]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12](-[#6@@:13])-[H:43].[H]-[#8:2]-[#6:1]

EVODEX.1-Em118 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

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-Nm152 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R6204

Full Reaction Rendering

[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]1:[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]([H:27]):[C:11]:1[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]:1[H:38])([H:39])[H:40])([C:21](=[O:22])[O:23][H:41])[H:42])[H:43]>>[C:3](=[O:4])([C:5]([C:6]1:[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]([H:27]):[C:11]:1[H:28])([H:29])[H:30])[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]:1[H:38])([H:39])[H:40])([C:21](=[O:22])[O:23][H:41])[H:42])[H:43].[H][O:2][C:1]([H:31])([H:32])[H:33]