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EVODEX.1-P4555

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:12]([C:13]1:[C:14]([H:27]):[C:15]([H:28]):[C:16]([N+:17](=[O:18])[O-:19]):[C:20]([H:29]):[C:21]:1[H:30])[H:31])N([H])[H]>>[H][N:12]([C:13]1:[C:14]([H:27]):[C:15]([H:28]):[C:16]([N+:17](=[O:18])[O-:19]):[C:20]([H:29]):[C:21]:1[H:30])[H:31]

Derived Operators

EVODEX.1-F468 - Elemental Balance

O-1
C-6
N-4
H-12

EVODEX.1-M80 - Mass Difference

-156.10126

EVODEX.1-E1279 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](=[#6](-[#7](-[H])-[H])-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:12](-[#6@@:13])-[H:65])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H]>>[#7:12](-[#6@@:13])(-[H:65])-[H]

EVODEX.1-C132 - 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])-[#7:12])-[#7](-[H])-[H]>>[H]-[#7:12]

EVODEX.1-N693 - 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])-[#7:20](-[#6@:12])-[H:61])-[#7](-[H])-[H]>>[H]-[#7:20](-[#6@:12])-[H:61]

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-R5390

Full Reaction Rendering

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