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EVODEX.1-P4857

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])C([H])([H])C(=O)[N:8]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:29])([H:30])[H:31])([C:13](=[O:14])[O:15][H:27])[H:28])[H:26])=[O:5])([C:7]([H:17])([H:18])[H:19])[H:25])[H:24]>>[H][N:8]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:29])([H:30])[H:31])([C:13](=[O:14])[O:15][H:27])[H:28])[H:26])=[O:5])([C:7]([H:17])([H:18])[H:19])[H:25])[H:24]

Derived Operators

EVODEX.1-F262 - Elemental Balance

O-1
C-2
N-1
H-3

EVODEX.1-M86 - Mass Difference

-57.02149000000001

EVODEX.1-E992 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6](-[#6](=[#8])-[#7:5](-[#6@:6])-[H:78])(-[H])-[H])(-[H])-[H]>>[#7:5](-[#6@:6])(-[H:78])-[H]

EVODEX.1-C133 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:22]>>[H]-[#7:22]

EVODEX.1-N705 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:22](-[#6:21])-[H:47]>>[H]-[#7:22](-[#6:21])-[H:47]

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-R5651

Full Reaction Rendering

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