EVODEX.1-P4891

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E177 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:6](-[#6@@:5])(-[#6:7](=[#8:8])-[#8:9])-[H:28].[#8:20](-[H:38])-[H]>>[#6:7](=[#8:8])(-[#8:9])-[#8:20]-[H:38].[#7:6](-[#6@@:5])(-[H:28])-[H]

EVODEX.1-C609 - Reaction Operator C

Reaction Operator C SMIRKS

([#7:14]-[#6:15].[#6@:2]).[H]-[#8:26]>>([H]-[#7:14].[#6@@:2]).[#6:15]-[#8:26]

EVODEX.1-N1804 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:1]-[#6@:2](-[#7:3])(-[#6:31])-[H:55].[#7:13](-[#6@:7])(-[#6:14](=[#8:15])-[#8:16])-[H:51]).[H]-[#8:34]-[H:59]>>[#6:14](=[#8:15])(-[#8:16])-[#8:34]-[H:59].([H]-[#7:13](-[#6@:7])-[H:51].[#7:3]-[#6@@:2](-[#6:1])(-[#6:31])-[H:55])

EVODEX.1-Em618 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:16]-[#7:18]-[#6:19](=[#8:20])-[#8:21].[H]-[#8:29]>>[#6:19](=[#8:20])(-[#8:21])-[#8:29].[H]-[#7:18]-[#6:16]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm553 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:16]-[#7:18]-[#6:19](=[#8:20])-[#8:21].[H]-[#8:29]>>[#6:19](=[#8:20])(-[#8:21])-[#8:29].[H]-[#7:18]-[#6:16]

Source Full Reactions

EVODEX.1-R5682

Full Reaction Rendering

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