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EVODEX.1-P3613

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:46]):[C:6]([H:47]):[C:7]([H:48]):[N+:8]([C@:9]2([H:49])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:50])[O:17][H:51])([H:52])[H:53])([H:54])[C@:18]([O:19][H:55])([H:56])[C@:20]2([O:21][H:57])[H:58]):[C:22]:1[H:59])([H:60])[H:61].[H][O:40][P:38]([O:37][C:36]([C@@:35]1([H:69])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:62]):[N:25]:[C:24]([N:23]([H:74])[H:75]):[C:29]:3:[N:30]:[C:31]:2[H:63])([H:64])[C@@:44]([O:45][H:72])([H:73])[C@@:42]1([O:43][H:70])[H:71])([H:67])[H:68])(=[O:39])[O:41][H:66]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:46]):[C:6]([H:47]):[C:7]([H:48]):[N+:8]([C@:9]2([H:49])[O:10][C@@:11]([C:12]([O:40][P:38]([O:37][C:36]([C@@:35]3([H:69])[O:34][C@:33]([N:32]4:[C:28]5:[N:27]:[C:26]([H:62]):[N:25]:[C:24]([N:23]([H:74])[H:75]):[C:29]:5:[N:30]:[C:31]:4[H:63])([H:64])[C@@:44]([O:45][H:72])([H:73])[C@@:42]3([O:43][H:70])[H:71])([H:67])[H:68])(=[O:39])[O:41][H:66])([H:52])[H:53])([H:54])[C@:18]([O:19][H:55])([H:56])[C@:20]2([O:21][H:57])[H:58]):[C:22]:1[H:59])([H:60])[H:61].[H][O:13][P:14](=[O:15])([O:16][H:50])[O:17][H:51]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E95 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#15:7])(-[H:57])-[H:58].([#15:42]-[#8:44]-[H].[#8:47]-[#6@@:46](-[#6@@:31])(-[H:74])-[#6@:48](-[#6@:29])(-[#8:49])-[H:76])>>([#6:4]-[#6:5](-[#8:44]-[#15:42])(-[H:57])-[H:58].[#8:49]-[#6@:48](-[#6@:29])(-[H:76])-[#6@@:46](-[#6@@:31])(-[#8:47])-[H:74]).[#8:6](-[#15:7])-[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-N581 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#15:7])(-[H:57])-[H:58].[H]-[#8:44]-[#15:42]>>[#6:4]-[#6:5](-[#8:44]-[#15:42])(-[H:57])-[H:58].[H]-[#8:6]-[#15:7]

EVODEX.1-Em564 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]-[#6:5]-[#8:6]-[#15:7].[H]-[#8:44]-[#15:42]>>[#6:4]-[#6:5]-[#8:44]-[#15:42].[H]-[#8:6]-[#15:7]

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-Nm510 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]-[#8:6]-[#15:7].[H]-[#8:44]-[#15:42]>>[#6:4]-[#6:5]-[#8:44]-[#15:42].[H]-[#8:6]-[#15:7]

Source Full Reactions

EVODEX.1-R4363

Full Reaction Rendering

[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:46]):[C:6]([H:47]):[C:7]([H:48]):[N+:8]([C@:9]2([H:49])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:50])[O:17][H:51])([H:52])[H:53])([H:54])[C@:18]([O:19][H:55])([H:56])[C@:20]2([O:21][H:57])[H:58]):[C:22]:1[H:59])([H:60])[H:61].[H][O:40][P:38]([O:37][C:36]([C@@:35]1([H:69])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:62]):[N:25]:[C:24]([N:23]([H:74])[H:75]):[C:29]:3:[N:30]:[C:31]:2[H:63])([H:64])[C@@:44]([O:45][H:72])([H:73])[C@@:42]1([O:43][H:70])[H:71])([H:67])[H:68])(=[O:39])[O:41][H:66]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:46]):[C:6]([H:47]):[C:7]([H:48]):[N+:8]([C@:9]2([H:49])[O:10][C@@:11]([C:12]([O:40][P:38]([O:37][C:36]([C@@:35]3([H:69])[O:34][C@:33]([N:32]4:[C:28]5:[N:27]:[C:26]([H:62]):[N:25]:[C:24]([N:23]([H:74])[H:75]):[C:29]:5:[N:30]:[C:31]:4[H:63])([H:64])[C@@:44]([O:45][H:72])([H:73])[C@@:42]3([O:43][H:70])[H:71])([H:67])[H:68])(=[O:39])[O:41][H:66])([H:52])[H:53])([H:54])[C@:18]([O:19][H:55])([H:56])[C@:20]2([O:21][H:57])[H:58]):[C:22]:1[H:59])([H:60])[H:61].[H][O:13][P:14](=[O:15])([O:16][H:50])[O:17][H:51]