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EVODEX.1-P4051

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@]([H])(C(=O)[N:8]([C:9]([C:10]1:[C:11]([H:26]):[C:12]([H:27]):[C:13]([H:28]):[C:14]([N:15]([C:16](=[N:17][H:29])[N:18]([H:30])[H:31])[H:32]):[C:19]:1[H:33])([H:34])[H:35])[H:36])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H][N:8]([C:9]([C:10]1:[C:11]([H:26]):[C:12]([H:27]):[C:13]([H:28]):[C:14]([N:15]([C:16](=[N:17][H:29])[N:18]([H:30])[H:31])[H:32]):[C:19]:1[H:33])([H:34])[H:35])[H:36]

Derived Operators

EVODEX.1-F247 - Elemental Balance

C-5
N-1
O-1
H-9

EVODEX.1-M573 - Mass Difference

-99.06847

EVODEX.1-E971 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:8](-[#6@@:9])-[H:36])-[H])-[H])(-[H])(-[H])-[H]>>[#7:8](-[#6@@:9])(-[H:36])-[H]

EVODEX.1-C511 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N643 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:8](-[#6@@:9])-[H:51])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:8](-[#6@@:9])-[H:51]

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-R4894

Full Reaction Rendering

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