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EVODEX.1-P3283

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[C:3]([H:42]):[C:4]([H:43]):[N:5]([C@:6]2([H:44])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:45])[O:14][P:15](=[O:16])([O:17][H:46])[O:18][H:47])([H:48])[H:49])([H:50])[C@:19]([O:20][H:51])([H:52])[C@:21]2([O:22][H:53])[H:54]):[C:23](=[O:24]):[N:25]:1)([H:55])[H:56]>>[H][O:14][P:11]([O:10][C:9]([C@@:8]1([H:50])[O:7][C@:6]([N:5]2:[C:4]([H:43]):[C:3]([H:42]):[C:2]([N:1]([H:55])[H:56]):[N:25]:[C:23]:2=[O:24])([H:44])[C@@:21]([O:22][H:53])([H:54])[C@@:19]1([O:20][H:51])[H:52])([H:48])[H:49])(=[O:12])[O:13][H:45].[H]O[C@]1(C([H])([H])O[P:15](=[O:16])([O:17][H:46])[O:18][H:47])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

Derived Operators

EVODEX.1-F399 - Elemental Balance

P1
O9
C6
H13

EVODEX.1-M157 - Mass Difference

260.02969

EVODEX.1-E1206 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:22]-[#8:25]-[#15:26](=[#8:27])(-[#8:28])-[#8:29]>>[#15:22]-[#8:25]-[H].[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6](-[#8]-[H])(-[#6](-[#8]-[#15:26](=[#8:27])(-[#8:28])-[#8:29])(-[H])-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]

EVODEX.1-C970 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:35]-[#15:36].[#6@:40]-[#6@:42])>>([H]-[#8:35].[#6@@:42]-[#6@@:40]).[H]-[#8]-[#6]1(-[#6](-[H])(-[H])-[#8]-[#15:36])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-N1212 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:32]-[#8:35]-[#15:36](=[#8:37])(-[#8:38])-[#8:39].[#8:41]-[#6@@:40](-[#6@@:29])(-[H:55])-[#6@:42](-[#6@:27])(-[#8:43])-[H:57])>>([H]-[#8:35]-[#15:32].[#8:43]-[#6@:42](-[#6@:27])(-[H:57])-[#6@@:40](-[#6@@:29])(-[#8:41])-[H:55]).[H]-[#8]-[#6]1(-[#6](-[H])(-[H])-[#8]-[#15:36](=[#8:37])(-[#8:38])-[#8:39])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-Em9 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:7]-[#15:8]>>[H]-[#8:7].[#8]-[#15:8]

EVODEX.1-Nm10 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]

Source Full Reactions

EVODEX.1-R3923

Full Reaction Rendering

[N:1]([C:2]1:[C:3]([H:42]):[C:4]([H:43]):[N:5]([C@:6]2([H:44])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:45])[O:14][P:15](=[O:16])([O:17][H:46])[O:18][H:47])([H:48])[H:49])([H:50])[C@:19]([O:20][H:51])([H:52])[C@:21]2([O:22][H:53])[H:54]):[C:23](=[O:24]):[N:25]:1)([H:55])[H:56].[H][O:37][C:36]([C@@:34]1([O:35][H:60])[O:33][C@@:32]([C:31]([O:30][P:27](=[O:26])([O:28][H:57])[O:29][H:58])([H:68])[H:69])([H:59])[C@:40]([O:41][H:66])([H:67])[C@@:38]1([O:39][H:64])[H:65])([H:62])[H:63]>>[H][O:14][P:11]([O:10][C:9]([C@@:8]1([H:50])[O:7][C@:6]([N:5]2:[C:4]([H:43]):[C:3]([H:42]):[C:2]([N:1]([H:55])[H:56]):[N:25]:[C:23]:2=[O:24])([H:44])[C@@:21]([O:22][H:53])([H:54])[C@@:19]1([O:20][H:51])[H:52])([H:48])[H:49])(=[O:12])[O:13][H:45].[P:15](=[O:16])([O:17][H:46])([O:18][H:47])[O:37][C:36]([C@@:34]1([O:35][H:60])[O:33][C@@:32]([C:31]([O:30][P:27](=[O:26])([O:28][H:57])[O:29][H:58])([H:68])[H:69])([H:59])[C@:40]([O:41][H:66])([H:67])[C@@:38]1([O:39][H:64])[H:65])([H:62])[H:63]