EVODEX.1-P4146

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R4985

Full Reaction Rendering

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