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EVODEX.1-P5343

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@]([H])(C(=O)[N:9]([C@@:10]([C:11]([C:12]([C:13]([N:14]([H:38])[H:39])=[O:15])([H:40])[H:41])([H:42])[H:43])([C:16](=[O:17])[N:18]([C:19]([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26](=[O:27])[O:28][H:44])([H:45])[H:46])([H:47])[H:48])([C:29](=[O:30])[O:31][H:49])[H:50])[H:51])([H:52])[H:53])[H:54])[H:55])[H:56])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H][N:9]([C@@:10]([C:11]([C:12]([C:13]([N:14]([H:38])[H:39])=[O:15])([H:40])[H:41])([H:42])[H:43])([C:16](=[O:17])[N:18]([C:19]([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26](=[O:27])[O:28][H:44])([H:45])[H:46])([H:47])[H:48])([C:29](=[O:30])[O:31][H:49])[H:50])[H:51])([H:52])[H:53])[H:54])[H:55])[H:56]

Derived Operators

EVODEX.1-F252 - Elemental Balance

O-1
C-6
N-1
H-11

EVODEX.1-M83 - Mass Difference

-113.08413

EVODEX.1-E978 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:42](-[#6@@:41])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])-[H])-[H:109]>>[#7:42](-[#6@@:41])(-[H:109])-[H]

EVODEX.1-C552 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N704 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:9](-[#6@@:10])-[H:56])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:9](-[#6@@:10])-[H:56]

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-R6096

Full Reaction Rendering

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