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EVODEX.1-P4741

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:30])([H:31])[H:32])[H:58])([H:56])[H:57])([C:16](=[O:17])[N:18]([C:19]1:[C:20]([H:47]):[C:21]([H:48]):[C:22]2:[C:23]([H:49]):[C:24]([H:50]):[C:25]([H:51]):[C:26]([H:52]):[C:27]:2:[C:28]:1[H:53])[H:54])[H:55])[H:46])N([H])[H]>>[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:30])([H:31])[H:32])[H:58])([H:56])[H:57])([C:16](=[O:17])[N:18]([C:19]1:[C:20]([H:47]):[C:21]([H:48]):[C:22]2:[C:23]([H:49]):[C:24]([H:50]):[C:25]([H:51]):[C:26]([H:52]):[C:27]:2:[C:28]:1[H:53])[H:54])[H:55])[H:46]

Derived Operators

EVODEX.1-F267 - Elemental Balance

O-1
C-6
N-2
H-12

EVODEX.1-M84 - Mass Difference

-128.09506000000002

EVODEX.1-E1008 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:37](-[#6@:28])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H:78]>>[#7:37](-[#6@:28])(-[H:78])-[H]

EVODEX.1-C566 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N719 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:46])-[#7](-[H])-[H]>>[H]-[#7:6](-[#6@@:5])-[H:46]

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-R5555

Full Reaction Rendering

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