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EVODEX.1-P5146

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)[N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:60])([H:61])[H:62])([C:3]([H:31])([H:32])[H:33])[H:59])([H:57])[H:58])([C:27](=[O:28])[O:29][H:55])[H:56])[H:54])=[O:8])([H:52])[H:53])[H:51])=[O:12])([C:14]([C:15]([C:16]([H:34])([H:35])[H:36])([C:17]([H:37])([H:38])[H:39])[H:40])([H:41])[H:42])[H:50])[H:49])N([H])[H]>>[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:60])([H:61])[H:62])([C:3]([H:31])([H:32])[H:33])[H:59])([H:57])[H:58])([C:27](=[O:28])[O:29][H:55])[H:56])[H:54])=[O:8])([H:52])[H:53])[H:51])=[O:12])([C:14]([C:15]([C:16]([H:34])([H:35])[H:36])([C:17]([H:37])([H:38])[H:39])[H:40])([H:41])[H:42])[H:50])[H:49]

Derived Operators

EVODEX.1-F220 - Elemental Balance

O-3
C-4
N-1
H-5

EVODEX.1-M72 - Mass Difference

-115.02695

EVODEX.1-E929 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6@@](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#7:9](-[#6:10])-[H:62])-[H])(-[H])-[H]>>[#7:9](-[#6:10])(-[H:62])-[H]

EVODEX.1-C558 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N711 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:18](-[#6@:13])-[H:49])-[#7](-[H])-[H]>>[H]-[#7:18](-[#6@:13])-[H:49]

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-R5915

Full Reaction Rendering

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