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EVODEX.1-P3581

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:10][C@:9]([C@@:7]([C@@:5]([C@@:3]([C:2]([C:1]([H:60])([H:61])[H:62])([P:13](=[O:14])([O:15][H:57])[O:16][H:58])[H:59])([O:4][H:48])[H:56])([O:6][H:49])[H:55])([O:8][H:50])[H:54])([C:11](=[O:12])[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])O[P:36](=[O:37])([O:38][H:67])[O:39][P:40](=[O:41])([O:42][H:68])[O:43][H:69]>>[C:1]([C:2]([C@@:3]([O:4][H:48])([C@@:5]([O:6][H:49])([C@@:7]([O:8][H:50])([C@@:9]([O:10][P:36](=[O:37])([O:38][H:67])[O:39][P:40](=[O:41])([O:42][H:68])[O:43][H:69])([C:11](=[O:12])[H:52])[H:53])[H:54])[H:55])[H:56])([P:13](=[O:14])([O:15][H:57])[O:16][H:58])[H:59])([H:60])([H:61])[H:62]

Derived Operators

EVODEX.1-F113 - Elemental Balance

P-1
O-7
C-10
N-5
H-14

EVODEX.1-M24 - Mass Difference

-347.06321999999994

EVODEX.1-E722 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:17](-[#6@:16])-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:39](=[#8:40])(-[#8:41])-[#8:42])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:17](-[#6@:16])-[#15:39](=[#8:40])(-[#8:41])-[#8:42]

EVODEX.1-C1335 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:10]-[#6@:9].[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]-[#15:36]>>[#8:10](-[#6@@:9])-[#15:36]

EVODEX.1-N1688 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:10]-[#6@:9](-[#6@@:7])(-[#6:11])-[H:53].[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]-[#15:36](=[#8:37])(-[#8:38])-[#8:39]>>[#8:10](-[#6@:9](-[#6@@:7])(-[#6:11])-[H:53])-[#15:36](=[#8:37])(-[#8:38])-[#8:39]

EVODEX.1-Em5 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

EVODEX.1-Cm9 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:27].[#8]-[#15:44]>>[#8:27]-[#15:44]

EVODEX.1-Nm6 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R4320

Full Reaction Rendering

[H][O:10][C@:9]([C@@:7]([C@@:5]([C@@:3]([C:2]([C:1]([H:60])([H:61])[H:62])([P:13](=[O:14])([O:15][H:57])[O:16][H:58])[H:59])([O:4][H:48])[H:56])([O:6][H:49])[H:55])([O:8][H:50])[H:54])([C:11](=[O:12])[H:52])[H:53].[N:17]([C:18]1:[N:19]:[C:20]([H:63]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:64]):[N:26]:2[C@:27]1([H:65])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:66])[O:35][P:36](=[O:37])([O:38][H:67])[O:39][P:40](=[O:41])([O:42][H:68])[O:43][H:69])([H:70])[H:71])([H:72])[C@:44]([O:45][H:73])([H:74])[C@:46]1([O:47][H:75])[H:76])([H:77])[H:78]>>[C:1]([C:2]([C@@:3]([O:4][H:48])([C@@:5]([O:6][H:49])([C@@:7]([O:8][H:50])([C@@:9]([O:10][P:36](=[O:37])([O:38][H:67])[O:39][P:40](=[O:41])([O:42][H:68])[O:43][H:69])([C:11](=[O:12])[H:52])[H:53])[H:54])[H:55])[H:56])([P:13](=[O:14])([O:15][H:57])[O:16][H:58])[H:59])([H:60])([H:61])[H:62].[H][O:35][P:32]([O:31][C:30]([C@@:29]1([H:72])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:63]):[N:19]:[C:18]([N:17]([H:77])[H:78]):[C:23]:3:[N:24]:[C:25]:2[H:64])([H:65])[C@@:46]([O:47][H:75])([H:76])[C@@:44]1([O:45][H:73])[H:74])([H:70])[H:71])(=[O:33])[O:34][H:66]