EVODEX.1-P4142

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C@@:13]1([H:20])[C:14]([H:21])([H:22])[C:15]([H:23])([H:24])[O:16][C:17]1=[O:18])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][O:19][H:45]>>[H][O:16][C:17]([C@@:13]([N:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])=[O:11])[H:25])([C:14]([C:15]([O:19][H:45])([H:23])[H:24])([H:21])[H:22])[H:20])=[O:18]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E109 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[H:28])(-[H:29])-[#8:21]-[#6:22].[#8:24](-[H:56])-[H]>>([#6:19]-[#6:20](-[#8:24]-[H:56])(-[H:28])-[H:29].[#6:22]-[#8:21]-[H])

EVODEX.1-C35 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:7]-[#6@@:6].[H]-[#8:18]>>([H]-[#8:7].[#8:18]-[#6@@:6])

EVODEX.1-N637 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](-[H:29])(-[H:30])-[#8:21]-[#6:22].[H]-[#8:24]-[H:58]>>([H]-[#8:21]-[#6:22].[#6:19]-[#6:20](-[#8:24]-[H:58])(-[H:29])-[H:30])

EVODEX.1-Em604 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#6:22].[H]-[#8:24]>>([H]-[#8:21]-[#6:22].[#6:19]-[#6:20]-[#8:24])

EVODEX.1-Cm70 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]-[#8:7].[H]-[#8:18]>>([H]-[#8:7].[#6:6]-[#8:18])

EVODEX.1-Nm540 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#6:22].[H]-[#8:24]>>([H]-[#8:21]-[#6:22].[#6:19]-[#6:20]-[#8:24])

Source Full Reactions

EVODEX.1-R4982

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C@@:13]1([H:20])[C:14]([H:21])([H:22])[C:15]([H:23])([H:24])[O:16][C:17]1=[O:18])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][O:19][H:45]>>[H][O:16][C:17]([C@@:13]([N:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])=[O:11])[H:25])([C:14]([C:15]([O:19][H:45])([H:23])[H:24])([H:21])[H:22])[H:20])=[O:18]