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EVODEX.1-P3928

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F31 - Elemental Balance

O-1
C-2
H-2

EVODEX.1-M82 - Mass Difference

-42.01056

EVODEX.1-E474 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](=[#8])-[#8:4]-[#6:5])(-[H])(-[H])-[H]>>[#8:4](-[#6:5])-[H]

EVODEX.1-C505 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8:4]>>[H]-[#8:4]

EVODEX.1-N624 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8:4]-[#6:5]>>[H]-[#8:4]-[#6:5]

EVODEX.1-Em10 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm9 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R4782

Full Reaction Rendering

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