EVODEX.1-P4868

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E250 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:77]-[#6@@:78](-[#6:79])(-[#6:84](=[#8:85])-[#7:86](-[#6@@:87])-[H:413])-[H:414].[#8:221](-[H:429])-[H]>>[#7:77]-[#6:78](-[#6:79])(-[#6:84](=[#8:85])-[#8:221]-[H:429])-[H:414].[#7:86](-[#6@@:87])(-[H:413])-[H]

EVODEX.1-C908 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:13](-[#6@:12])-[#7:15].[H]-[#8:1]>>[H]-[#7:15].[#8:1]-[#6:13]-[#6@@:12]

EVODEX.1-N1140 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:8]-[#6@@:12](-[#6:11])(-[#6:13](=[#8:14])-[#7:15](-[#6:16])-[H:47])-[H:48].[H]-[#8:1]-[H:59]>>[H]-[#7:15](-[#6:16])-[H:47].[#8:1](-[#6:13](-[#6@@:12](-[H:48])(-[#7:8])-[#6:11])=[#8:14])-[H:59]

EVODEX.1-Em51 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:15]>>[#6:5]-[#6:6](=[#8:7])-[#8:15].[H]-[#7:8]-[#6:9]

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-Nm49 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]

Source Full Reactions

EVODEX.1-R5662

Full Reaction Rendering

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