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EVODEX.1-P5280

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:6]([O:5][C:4]([H:67])([H:68])[H:69])=[O:7])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])[H:56])N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:6]([O:5][C:4]([H:67])([H:68])[H:69])=[O:7])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])[H:56]

Derived Operators

EVODEX.1-F491 - Elemental Balance

O-2
C-13
N-4
H-16

EVODEX.1-M466 - Mass Difference

-260.12748

EVODEX.1-E1309 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#7:16](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H])-[H])-[H:59]>>[#6:15]-[#7:16](-[H:59])-[H]

EVODEX.1-C588 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13])-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13]

EVODEX.1-N744 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13](-[#6:12])-[H:56])-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6:12])-[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-R6040

Full Reaction Rendering

[H][O:3][C:2]([C:1]([H:36])([H:37])[H:38])([H:34])[H:35].[C:4]([O:5][C:6](=[O:7])[C:8]([C:9]([C:10]([C:11]([C:12]([N:13]([C:14](=[O:15])[C@:16]([C:17]([C:18]([C:19]([N:20]([C:21](=[N:22][H:39])[N:23]([H:40])[H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([N:24]([C:25](=[O:26])[C:27]1:[C:28]([H:49]):[C:29]([H:50]):[C:30]([H:51]):[C:31]([H:52]):[C:32]:1[H:53])[H:54])[H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])([H:68])[H:69]>>[C:1]([C:2]([O:3][C:14](=[O:15])[C@:16]([C:17]([C:18]([C:19]([N:20]([C:21](=[N:22][H:39])[N:23]([H:40])[H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([N:24]([C:25](=[O:26])[C:27]1:[C:28]([H:49]):[C:29]([H:50]):[C:30]([H:51]):[C:31]([H:52]):[C:32]:1[H:53])[H:54])[H:55])([H:34])[H:35])([H:36])([H:37])[H:38].[H][N:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:6]([O:5][C:4]([H:67])([H:68])[H:69])=[O:7])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])[H:56]