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EVODEX.1-P3290

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@@]([H])([C@]([H])(O[H])C(=O)C([H])([H])O[P:15](=[O:16])([O:17][H:46])[O:18][H:47])[C@]([H])(O[H])C([H])([H])OP(=O)(O[H])O[H]

Derived Operators

EVODEX.1-F399 - Elemental Balance

P1
O9
C6
H13

EVODEX.1-M157 - Mass Difference

260.02969

EVODEX.1-E1205 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:17]=[#15:18](-[#8:19])(-[#8:20])-[#8:21]-[#15:22]>>[#8]=[#6](-[#6](-[#8]-[#15:18](=[#8:17])(-[#8:19])-[#8:20])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6@](-[#8]-[H])(-[#6@](-[#8]-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H])-[H])-[H].[#8:21](-[#15:22])-[H]

EVODEX.1-C971 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:14]-[#15:15].[#6@:19]-[#6@:21])>>([H]-[#8:14].[#6@@:21]-[#6@@:19]).[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15:15])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]

EVODEX.1-N1213 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[#8:20]-[#6@@:19](-[#6@@:8])(-[H:52])-[#6@:21](-[#6@:6])(-[#8:22])-[H:54])>>([H]-[#8:14]-[#15:11].[#8:22]-[#6@:21](-[#6@:6])(-[H:54])-[#6@@:19](-[#6@@:8])(-[#8:20])-[H:52]).[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[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-R3931

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:29][C:28]([C:27](=[O:26])[C@@:30]([O:31][H:60])([C@:32]([O:33][H:61])([C@:34]([O:35][H:62])([C:36]([O:37][P:38](=[O:39])([O:40][H:63])[O:41][H:64])([H:65])[H:66])[H:67])[H:68])[H:69])([H:58])[H:59]>>[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:29][C:28]([C:27](=[O:26])[C@@:30]([O:31][H:60])([C@:32]([O:33][H:61])([C@:34]([O:35][H:62])([C:36]([O:37][P:38](=[O:39])([O:40][H:63])[O:41][H:64])([H:65])[H:66])[H:67])[H:68])[H:69])([H:58])[H:59]