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EVODEX.1-P4630

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:15]([C@:13]([C:11]([N:10]([C:9]1:[C:8]([H:30]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:29]):[C:2]([C:1]([H:52])([H:53])[H:54]):[C:27]:2:[C:26]([H:51]):[C:25]:1[H:50])[H:49])=[O:12])([C:14]([H:31])([H:32])[H:33])[H:48])[H:47])N([H])[H]>>[H][N:15]([C@:13]([C:11]([N:10]([C:9]1:[C:8]([H:30]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:29]):[C:2]([C:1]([H:52])([H:53])[H:54]):[C:27]:2:[C:26]([H:51]):[C:25]:1[H:50])[H:49])=[O:12])([C:14]([H:31])([H:32])[H:33])[H:48])[H:47]

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-R5453

Full Reaction Rendering

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