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EVODEX.1-P5436

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]ON([H])[C:5]([C:4]([C:3]([C@:2]([N:1]([H:21])[H:22])([C:9](=[O:10])[O:11][H:19])[H:20])([H:17])[H:18])([H:15])[H:16])=[O:6]>>[H]O[C:5]([C:4]([C:3]([C@:2]([N:1]([H:21])[H:22])([C:9](=[O:10])[O:11][H:19])[H:20])([H:17])[H:18])([H:15])[H:16])=[O:6]

Derived Operators

EVODEX.1-F181 - Elemental Balance

N-1
H-1

EVODEX.1-M267 - Mass Difference

-15.01093

EVODEX.1-E875 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C677 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N835 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em661 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm4 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:42]>>[#8]-[#6:42]

EVODEX.1-Nm594 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6186

Full Reaction Rendering

[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:7]([O:8][H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])([H:21])[H:22].[H][O:12][H:23]>>[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:12][H:23])([H:15])[H:16])([H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])([H:21])[H:22].[H][N:7]([O:8][H:13])[H:14]

EVODEX.1-R7531

Full Reaction Rendering

[N:12]([C:13]1:[N:14]:[C:15]([H:44]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:45]):[N:21]:2[C@:22]1([H:46])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:47])[O:30][P:31](=[O:32])([O:33][H:48])[O:34][H:49])([H:50])[H:51])([H:52])[C@:35]([O:36][H:53])([H:54])[C@:37]1([O:38][H:55])[H:56])([H:57])[H:58].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:7]([O:8][H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([C:9](=[O:10])[O:11][H:65])[H:66])([H:67])[H:68].[H][O:41][P:40](=[O:39])([O:42][H:70])[O:43][H:71]>>[N:12]([C:13]1:[N:14]:[C:15]([H:44]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:45]):[N:21]:2[C@:22]1([H:46])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:47])[O:30][P:31](=[O:32])([O:34][H:49])[O:41][P:40](=[O:39])([O:42][H:70])[O:43][H:71])([H:50])[H:51])([H:52])[C@:35]([O:36][H:53])([H:54])[C@:37]1([O:38][H:55])[H:56])([H:57])[H:58].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:33][H:48])([H:61])[H:62])([H:63])[H:64])([C:9](=[O:10])[O:11][H:65])[H:66])([H:67])[H:68].[H][N:7]([O:8][H:59])[H:60]