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EVODEX.1-P4666

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:48])[N:3]([H:26])[H:27])[H:47])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([C:22](=[O:23])[O:24][H:39])[H:40])[H:38])N([H])[H]):C([H]):C:1[H]>>[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:48])[N:3]([H:26])[H:27])[H:47])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([C:22](=[O:23])[O:24][H:39])[H:40])[H:38]

Derived Operators

EVODEX.1-F200 - Elemental Balance

O-2
C-9
N-1
H-9

EVODEX.1-M127 - Mass Difference

-163.06337

EVODEX.1-E901 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:3](-[#6@:2])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H:30]>>[#7:3](-[#6@:2])(-[H:30])-[H]

EVODEX.1-C554 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N707 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13](-[#6@@:14])-[H:38])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6@@:14])-[H:38]

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-R5486

Full Reaction Rendering

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