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EVODEX.1-P2980

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:1]([H:33])[H:34].O=[C:16]([C:14](=[O:13])[O:15][H:35])[C:18]([C:19]1:[C:20]([H:36]):[N:21]([H:37]):[C:22]([H:38]):[N:23]:1)([H:39])[H:40]>>[H][C:16]([N:1]([H:33])[H:34])([C:14](=[O:13])[O:15][H:35])[C:18]([C:19]1:[C:20]([H:36]):[N:21]([H:37]):[C:22]([H:38]):[N:23]:1)([H:39])[H:40]

Derived Operators

EVODEX.1-F430 - Elemental Balance

O-3
C-9
H-8

EVODEX.1-M417 - Mass Difference

-164.04734

EVODEX.1-E1240 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:5](=[#8])-[#6:7]=[#8:8].[#7:10](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:39])-[H:40]>>[#6:2]-[#6:5](-[#6:7]=[#8:8])(-[#7:10](-[H:39])-[H:40])-[H]

EVODEX.1-C453 - Reaction Operator C

Reaction Operator C SMIRKS

[#8]=[#6:5].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7:10]>>[H]-[#6@:5]-[#7:10]

EVODEX.1-N550 - Reaction Operator N

Reaction Operator N SMIRKS

[#8]=[#6:5](-[#6:4])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7:10](-[H:36])-[H:37]>>[H]-[#6@:5](-[#6:4])(-[#6:7])-[#7:10](-[H:36])-[H:37]

EVODEX.1-Em19 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]

EVODEX.1-Cm21 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:3].[#8]=[#6:19]>>[H]-[#6:19]-[#7:3]

EVODEX.1-Nm15 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]

Source Full Reactions

EVODEX.1-R3647

Full Reaction Rendering

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