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EVODEX.1-P3033

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:10]([C:11]([C@:12]([C:13]([H:19])([H:20])[H:21])([C:14](=[O:15])[C:16](=[O:17])[O:18][H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28]>>[H]OC(=O)C(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=[O:15].[H]N([H])[C@@:14]([H])([C@:12]([C:11]([C:10]([H:26])([H:27])[H:28])([H:24])[H:25])([C:13]([H:19])([H:20])[H:21])[H:23])[C:16](=[O:17])[O:18][H:22]

Derived Operators

EVODEX.1-F137 - Elemental Balance

O2
C6
N1
H13

EVODEX.1-M67 - Mass Difference

131.09469

EVODEX.1-E788 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18]=[#8:19]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6](-[#6](=[#8])-[#8]-[H])=[#8:17])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#7](-[#6:16](-[#6:15])(-[#6:18]=[#8:19])-[H])(-[H])-[H]

EVODEX.1-C452 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:15]=[#8:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])=[#8:16].[H]-[#7](-[H])-[#6:15]-[H]

EVODEX.1-N549 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:14]-[#6:15](=[#8:16])-[#6:17]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])=[#8:16].[H]-[#7](-[H])-[#6:15](-[H])(-[#6:14])-[#6:17]

EVODEX.1-Em18 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]

EVODEX.1-Cm22 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:13]=[#8:14]>>[#6]=[#8:14].[#7]-[#6:13]-[H]

EVODEX.1-Nm14 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]

Source Full Reactions

EVODEX.1-R3689

Full Reaction Rendering

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