EVODEX.1-P4499

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:35])[C:6]([N:7]([C@@:8]([C:9]([C:10]([N:11]([H:36])[H:37])=[O:12])([H:38])[H:39])([C:13](=[O:14])[O:15][H:40])[H:41])[H:42])([H:43])[O:16][C@@:17]([C:18]([O:19][C@@:20]2([H:44])[O:21][C@@:22]([C:23]([H:45])([H:46])[H:47])([H:48])[C@@:24]([O:25][H:49])([H:50])[C@@:26]([O:27][H:51])([H:52])[C@:28]2([O:29][H:53])[H:54])([H:55])[H:56])([H:57])[C@:30]([O:31][H:58])([H:59])[C@@:32]1([O:33][H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[H][O:34][H:66]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:35])[C:6]([N:7]([C@@:8]([C:9]([C:10]([N:11]([H:36])[H:37])=[O:12])([H:38])[H:39])([C:13](=[O:14])[O:15][H:40])[H:41])[H:42])([H:43])[O:16][C@@:17]([C:18]([O:34][H:66])([H:55])[H:56])([H:57])[C@:30]([O:31][H:58])([H:59])[C@@:32]1([O:33][H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[H][O:19][C@@:20]1([H:44])[O:21][C@@:22]([C:23]([H:45])([H:46])[H:47])([H:48])[C@@:24]([O:25][H:49])([H:50])[C@@:26]([O:27][H:51])([H:52])[C@:28]1([O:29][H:53])[H:54]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E97 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4]-[#6:5])(-[H:20])-[H:21].[#8:14](-[H:27])-[H]>>[#6:2]-[#6:3](-[#8:14]-[H:27])(-[H:20])-[H:21].[#8:4](-[#6:5])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N638 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](-[#8:3]-[#6:4])(-[H:21])-[H:22].[H]-[#8:13]-[H:26]>>[#6:1]-[#6:2](-[#8:13]-[H:26])(-[H:21])-[H:22].[H]-[#8:3]-[#6:4]

EVODEX.1-Em117 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2]-[#8:3]-[#6:4].[H]-[#8:13]>>[#6:1]-[#6:2]-[#8:13].[H]-[#8:3]-[#6:4]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm151 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2]-[#8:3]-[#6:4].[H]-[#8:13]>>[#6:1]-[#6:2]-[#8:13].[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R5339

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:35])[C:6]([N:7]([C@@:8]([C:9]([C:10]([N:11]([H:36])[H:37])=[O:12])([H:38])[H:39])([C:13](=[O:14])[O:15][H:40])[H:41])[H:42])([H:43])[O:16][C@@:17]([C:18]([O:19][C@@:20]2([H:44])[O:21][C@@:22]([C:23]([H:45])([H:46])[H:47])([H:48])[C@@:24]([O:25][H:49])([H:50])[C@@:26]([O:27][H:51])([H:52])[C@:28]2([O:29][H:53])[H:54])([H:55])[H:56])([H:57])[C@:30]([O:31][H:58])([H:59])[C@@:32]1([O:33][H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[H][O:34][H:66]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:35])[C:6]([N:7]([C@@:8]([C:9]([C:10]([N:11]([H:36])[H:37])=[O:12])([H:38])[H:39])([C:13](=[O:14])[O:15][H:40])[H:41])[H:42])([H:43])[O:16][C@@:17]([C:18]([O:34][H:66])([H:55])[H:56])([H:57])[C@:30]([O:31][H:58])([H:59])[C@@:32]1([O:33][H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[H][O:19][C@@:20]1([H:44])[O:21][C@@:22]([C:23]([H:45])([H:46])[H:47])([H:48])[C@@:24]([O:25][H:49])([H:50])[C@@:26]([O:27][H:51])([H:52])[C@:28]1([O:29][H:53])[H:54]