EVODEX.1-P4149

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]([C:11]([C:12]([O:13][H:25])([C:14]([C:15](=[O:16])[N:17]([C@:18]1([H:26])[C:19]([H:27])([H:28])[C:20]([H:29])([H:30])[O:21][C:22]1=[O:23])[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:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[H][O:24][H:58]>>[H][O:21][C:22]([C@:18]([N:17]([C:15]([C:14]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([O:13][H:25])[H:34])([H:32])[H:33])=[O:16])[H:31])([C:19]([C:20]([O:24][H:58])([H:29])[H:30])([H:27])[H:28])[H:26])=[O:23]

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-R4987

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([O:13][H:25])([C:14]([C:15](=[O:16])[N:17]([C@:18]1([H:26])[C:19]([H:27])([H:28])[C:20]([H:29])([H:30])[O:21][C:22]1=[O:23])[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:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[H][O:24][H:58]>>[H][O:21][C:22]([C@:18]([N:17]([C:15]([C:14]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([O:13][H:25])[H:34])([H:32])[H:33])=[O:16])[H:31])([C:19]([C:20]([O:24][H:58])([H:29])[H:30])([H:27])[H:28])[H:26])=[O:23]