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EVODEX.1-P4954

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N(C(=O)C([H])([H])[H])[C@]([H])(C(=O)[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:26]):[C:14]([H:27]):[C:15]([O:16][H:28]):[C:17]([H:29]):[C:18]:1[H:30])([H:31])[H:32])([C:19](=[O:20])[O:21][H:33])[H:34])[H:35])C([H])([H])[H]>>[H][N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:26]):[C:14]([H:27]):[C:15]([O:16][H:28]):[C:17]([H:29]):[C:18]:1[H:30])([H:31])[H:32])([C:19](=[O:20])[O:21][H:33])[H:34])[H:35]

Derived Operators

EVODEX.1-F241 - Elemental Balance

O-2
C-5
N-1
H-7

EVODEX.1-M298 - Mass Difference

-113.04771

EVODEX.1-E965 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](=[#8])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#7:9](-[#6@@:10])-[H:71])-[H])-[H])(-[H])(-[H])-[H]>>[#7:9](-[#6@@:10])(-[H:71])-[H]

EVODEX.1-C608 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:9])-[#6](-[H])(-[H])-[H]>>[H]-[#7:9]

EVODEX.1-N765 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:9](-[#6@:10])-[H:28])-[#6](-[H])(-[H])-[H]>>[H]-[#7:9](-[#6@:10])-[H:28]

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-R5740

Full Reaction Rendering

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