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EVODEX.1-P3128

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@:2]([N:1]([H:43])[H:44])([C:3]([C:4]1([C:5](=[O:6])[O:7][H:32])[C:8]([H:33])=[C:9]([H:34])[C:10]([O:11][H:35])([H:36])[C:12]([H:37])=[C:13]1[H:38])([H:39])[H:40])[C:14](=[O:15])[O:16][H:41]>>O=[C:2]([C:3]([C:4]1([C:5](=[O:6])[O:7][H:32])[C:8]([H:33])=[C:9]([H:34])[C:10]([O:11][H:35])([H:36])[C:12]([H:37])=[C:13]1[H:38])([H:39])[H:40])[C:14](=[O:15])[O:16][H:41].[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):N([H]):C2:C([H]):C([H]):C([H]):C([H]):C:1:2)[N:1]([H:43])[H:44]

Derived Operators

EVODEX.1-F419 - Elemental Balance

O3
C11
N1
H9

EVODEX.1-M407 - Mass Difference

203.05827

EVODEX.1-E1228 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6@@:2](-[#6:3])(-[#6:7]=[#8:8])-[H])(-[H:30])-[H:31]>>[#6:2](-[#6:3])(-[#6:7]=[#8:8])=[#8].[#7:1](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])-[H])(-[H:30])-[H:31]

EVODEX.1-C449 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N546 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:2](-[#7:1](-[H:30])-[H:31])(-[#6:3])-[#6:7]>>[#8]=[#6:2](-[#6:3])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[#7:1](-[H:30])-[H:31]

EVODEX.1-Em17 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]

EVODEX.1-Cm20 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:39]-[#7:40]>>[#8]=[#6:39].[#6]-[#7:40]

EVODEX.1-Nm13 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]

Source Full Reactions

EVODEX.1-R3786

Full Reaction Rendering

[H][C@:2]([N:1]([H:43])[H:44])([C:3]([C:4]1([C:5](=[O:6])[O:7][H:32])[C:8]([H:33])=[C:9]([H:34])[C:10]([O:11][H:35])([H:36])[C:12]([H:37])=[C:13]1[H:38])([H:39])[H:40])[C:14](=[O:15])[O:16][H:41].[O:17]=[C:18]([O:19][H:45])[C:20](=[O:21])[C:22]([C:23]1:[C:24]([H:46]):[N:25]([H:47]):[C:26]2:[C:27]([H:48]):[C:28]([H:49]):[C:29]([H:50]):[C:30]([H:51]):[C:31]:1:2)([H:52])[H:53]>>[C:2]([C:3]([C:4]1([C:5](=[O:6])[O:7][H:32])[C:8]([H:33])=[C:9]([H:34])[C:10]([O:11][H:35])([H:36])[C:12]([H:37])=[C:13]1[H:38])([H:39])[H:40])([C:14](=[O:15])[O:16][H:41])=[O:21].[H][C@@:20]([N:1]([H:43])[H:44])([C:18](=[O:17])[O:19][H:45])[C:22]([C:23]1:[C:24]([H:46]):[N:25]([H:47]):[C:26]2:[C:27]([H:48]):[C:28]([H:49]):[C:29]([H:50]):[C:30]([H:51]):[C:31]:1:2)([H:52])[H:53]