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EVODEX.1-P5272

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:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29](=[O:30])[O:31][H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[H:57])N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29](=[O:30])[O:31][H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[H:57]

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-R6032

Full Reaction Rendering

[H][O:3][C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34].[N:4](=[C:5]([N:6]([H:38])[H:39])[N:7]([C:8]([C:9]([C:10]([C@:11]([N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:40]):[C:17]([H:41]):[C:18]([H:42]):[C:19]([H:43]):[C:20]:1[H:44])[H:45])([C:21](=[O:22])[N:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29](=[O:30])[O:31][H:46])([H:47])[H:48])([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:64])[H:65])[H:66]>>[C:1]([C:2]([O:3][C:21]([C@:11]([C:10]([C:9]([C:8]([N:7]([C:5](=[N:4][H:66])[N:6]([H:38])[H:39])[H:65])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:40]):[C:17]([H:41]):[C:18]([H:42]):[C:19]([H:43]):[C:20]:1[H:44])[H:45])[H:58])=[O:22])([H:33])[H:34])([H:35])([H:36])[H:37].[H][N:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29](=[O:30])[O:31][H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[H:57]