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EVODEX.1-P4747

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:20]([C:21]1:[C:22]([H:39]):[C:23]([H:40]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:41]):[C:29]:1[H:42])[H:43])N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:20]([C:21]1:[C:22]([H:39]):[C:23]([H:40]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:41]):[C:29]:1[H:42])[H:43]

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-R5560

Full Reaction Rendering

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