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EVODEX.1-P4650

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@]([H])(C(=O)[N:18]([C:17]([C:15]([N:14]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:60])([H:61])[H:62])([H:58])[H:59])([H:56])[H:57])([C:27](=[O:28])[O:29][H:54])[H:55])[H:53])=[O:8])([C:10]([C:11]([S:12][C:13]([H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:52])[H:51])=[O:16])([H:49])[H:50])[H:48])C([H])([H])C([H])([H])SC([H])([H])[H]>>[H][N:18]([C:17]([C:15]([N:14]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:60])([H:61])[H:62])([H:58])[H:59])([H:56])[H:57])([C:27](=[O:28])[O:29][H:54])[H:55])[H:53])=[O:8])([C:10]([C:11]([S:12][C:13]([H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:52])[H:51])=[O:16])([H:49])[H:50])[H:48]

Derived Operators

EVODEX.1-F469 - Elemental Balance

O-1
C-5
S-1
N-1
H-9

EVODEX.1-M164 - Mass Difference

-131.04057

EVODEX.1-E1282 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:14](-[#6@:9])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6](-[#16]-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H:166]>>[#7:14](-[#6@:9])(-[H:166])-[H]

EVODEX.1-C543 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:18])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#7:18]

EVODEX.1-N694 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:18](-[#6:17])-[H:48])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#7:18](-[#6:17])-[H:48]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

Source Full Reactions

EVODEX.1-R5471

Full Reaction Rendering

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