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EVODEX.1-P4591

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:6]([C@@:5]([C:4]([C:2]([C:1]([H:44])([H:45])[H:46])([C:3]([H:22])([H:23])[H:24])[H:43])([H:41])[H:42])([C:18](=[O:19])[O:20][H:39])[H:40])[H:38])N([H])[H]>>[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:44])([H:45])[H:46])([C:3]([H:22])([H:23])[H:24])[H:43])([H:41])[H:42])([C:18](=[O:19])[O:20][H:39])[H:40])[H:38]

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-R5420

Full Reaction Rendering

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