EVODEX.1-P4465

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E212 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:24]-[#6@@:25](-[#6@:5])(-[#8:26]-[#6:27])-[H:70].[#8:36](-[#6:37])-[H]>>[#8:24]-[#6@:25](-[#6@:5])(-[#8:36]-[#6:37])-[H:70].[#8:26](-[#6:27])-[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-N21 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:24]-[#6@@:25](-[#6@:5])(-[#8:26]-[#6:27])-[H:66].[H]-[#8:42]-[#6:41]>>[#8:24]-[#6@:25](-[#6@:5])(-[#8:42]-[#6:41])-[H:66].[H]-[#8:26]-[#6:27]

EVODEX.1-Em44 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]

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-Nm47 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]

Source Full Reactions

EVODEX.1-R5307

Full Reaction Rendering

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