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EVODEX.1-P5437

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial 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[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][N:7]([O:8][H:13])[H:14]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E373 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7:10](-[#8:11])-[H:63]>>[#7:10](-[#8:11])(-[H:63])-[H].[#6:7]-[#6:8](=[#8:9])-[#8]-[H]

EVODEX.1-C919 - Reaction Operator C

Reaction Operator C SMIRKS

([#6:5]-[#7:7].[#6@@:2])>>([H]-[#8]-[#6:5].[#6@:2]).[H]-[#7:7]

EVODEX.1-N1832 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:1]-[#6@@:2](-[#6:3]-[#6:4]-[#6:5](=[#8:6])-[#7:7](-[#8:8])-[H:14])(-[#6:9])-[H:20]>>[H]-[#8]-[#6:5](-[#6:4]-[#6:3]-[#6@:2](-[#7:1])(-[#6:9])-[H:20])=[#8:6].[H]-[#7:7](-[#8:8])-[H:14]

EVODEX.1-Em662 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4]-[#8:5]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3].[H]-[#7:4]-[#8:5]

EVODEX.1-Cm18 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:4]-[#6:5]>>[H]-[#7:4].[#8]-[#6:5]

EVODEX.1-Nm595 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4]-[#8:5]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3].[H]-[#7:4]-[#8:5]

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]