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EVODEX.1-P2964

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:10]=[C:11]([O:12][H:38])[C:13](=[O:14])[C:15]([C:16]1:[C:17]([H:39]):[N:18]([H:40]):[C:19]2:[C:20]([H:41]):[C:21]([H:42]):[C:22]([H:43]):[C:23]([H:44]):[C:24]:1:2)([H:45])[H:46]>>[H]OC(=O)C(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=[O:14].[H]N([H])[C@:13]([H])([C:11](=[O:10])[O:12][H:38])[C:15]([C:16]1:[C:17]([H:39]):[N:18]([H:40]):[C:19]2:[C:20]([H:41]):[C:21]([H:42]):[C:22]([H:43]):[C:23]([H:44]):[C:24]:1:2)([H:45])[H:46]

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-R3633

Full Reaction Rendering

[H][C@@:5]([C:4]([C:2]([C:1]([H:35])([H:36])[H:37])([C:3]([H:25])([H:26])[H:27])[H:34])([H:32])[H:33])([N:6]([H:28])[H:29])[C:7](=[O:8])[O:9][H:30].[O:10]=[C:11]([O:12][H:38])[C:13](=[O:14])[C:15]([C:16]1:[C:17]([H:39]):[N:18]([H:40]):[C:19]2:[C:20]([H:41]):[C:21]([H:42]):[C:22]([H:43]):[C:23]([H:44]):[C:24]:1:2)([H:45])[H:46]>>[C:1]([C:2]([C:3]([H:25])([H:26])[H:27])([C:4]([C:5]([C:7](=[O:8])[O:9][H:30])=[O:14])([H:32])[H:33])[H:34])([H:35])([H:36])[H:37].[H][C@@:13]([N:6]([H:28])[H:29])([C:11](=[O:10])[O:12][H:38])[C:15]([C:16]1:[C:17]([H:39]):[N:18]([H:40]):[C:19]2:[C:20]([H:41]):[C:21]([H:42]):[C:22]([H:43]):[C:23]([H:44]):[C:24]:1:2)([H:45])[H:46]