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EVODEX.1-P3418

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:47])[C:6]([O:7][H:48])([H:49])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:50])[O:15][H:51])([H:52])[H:53])([H:54])[C@:16]([O:17][H:55])([H:56])[C@@:18]1([O:19][H:57])[H:58])[H:59])([H:60])([H:61])[H:62]>>[H][O:11][C:10]([C@@:9]1([H:54])[O:8][C:6]([O:7][H:48])([H:49])[C@:5]([N:4]([C:2]([C:1]([H:60])([H:61])[H:62])=[O:3])[H:59])([H:47])[C@:18]([O:19][H:57])([H:58])[C@@:16]1([O:17][H:55])[H:56])([H:52])[H:53].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:12](=[O:13])([O:14][H:50])[O:15][H:51]

Derived Operators

EVODEX.1-F385 - Elemental Balance

P2
O10
C10
N5
H15

EVODEX.1-M27 - Mass Difference

427.02955

EVODEX.1-E1181 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:14](-[#6@@:2])-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#8:14](-[#6@@:2])-[H].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8]-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H]

EVODEX.1-C1088 - 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@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:15]

EVODEX.1-N1645 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:10](-[#6@@:9]-[#6@:16](-[#8:17])(-[H:56])-[#6@@:18](-[#6@:5])(-[#8:19])-[H:58])-[#8:11]-[#15:12](=[#8:13])(-[#8:14])-[#8:15]>>[H]-[#8:11]-[#6:10]-[#6@@:9]-[#6@:16](-[#6@@:18](-[#6@:5])(-[#8:19])-[H:58])(-[#8:17])-[H:56].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:12](=[#8:13])(-[#8:14])-[#8:15]

EVODEX.1-Em63 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:32]-[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]>>[H]-[#8:33]-[#6:32].[#15]-[#8]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm76 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:32]-[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]>>[H]-[#8:33]-[#6:32].[#15]-[#8]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]

Source Full Reactions

EVODEX.1-R4092

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:47])[C:6]([O:7][H:48])([H:49])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:50])[O:15][H:51])([H:52])[H:53])([H:54])[C@:16]([O:17][H:55])([H:56])[C@@:18]1([O:19][H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[H][O:41][P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:71])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:63]):[N:22]:[C:21]([N:20]([H:76])[H:77]):[C:26]:3:[N:27]:[C:28]:2[H:64])([H:65])[C@@:45]([O:46][H:74])([H:75])[C@@:43]1([O:44][H:72])[H:73])([H:69])[H:70])(=[O:36])[O:37][H:66])(=[O:40])[O:42][H:68]>>[H][O:11][C:10]([C@@:9]1([H:54])[O:8][C:6]([O:7][H:48])([H:49])[C@:5]([N:4]([C:2]([C:1]([H:60])([H:61])[H:62])=[O:3])[H:59])([H:47])[C@:18]([O:19][H:57])([H:58])[C@@:16]1([O:17][H:55])[H:56])([H:52])[H:53].[P:12](=[O:13])([O:14][H:50])([O:15][H:51])[O:41][P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:71])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:63]):[N:22]:[C:21]([N:20]([H:76])[H:77]):[C:26]:3:[N:27]:[C:28]:2[H:64])([H:65])[C@@:45]([O:46][H:74])([H:75])[C@@:43]1([O:44][H:72])[H:73])([H:69])[H:70])(=[O:36])[O:37][H:66])(=[O:40])[O:42][H:68]