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EVODEX.1-P6911

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C:4]([O:5][H:51])([H:52])[H:53])[C@@:6]([O:7][H:54])([C:8](=[O:9])[O:10][H:55])[H:56])([H:57])([H:58])[H:59].[H][N:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:60])([H:61])[H:62])([H:63])[H:64])[H:65]>>[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C:4]([O:5][H:51])([H:52])[H:53])[C@@:6]([O:7][H:54])([C:8](=[O:9])[N:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:60])([H:61])[H:62])([H:63])[H:64])[H:65])[H:56])([H:57])([H:58])[H:59].[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:10][H:55]

Derived Operators

EVODEX.1-F116 - Elemental Balance

P1
O6
C10
N5
H12

EVODEX.1-M34 - Mass Difference

329.05266

EVODEX.1-E735 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:121](-[#6@@:120])(-[H:267])-[H].[#8:195]=[#6:196](-[#8:197]-[H:374])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267].[#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])-[#8:197]-[H:374])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]

EVODEX.1-C933 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:1].[#6:40]-[#8:41]>>[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])-[#8:41].[#7:1]-[#6:40]

EVODEX.1-N1166 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[#6@@:2])-[H:55].[#8:39]=[#6:40](-[#8:41]-[H:73])-[#6:42]>>[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])-[#8:41]-[H:73].[#7:1](-[#6@@:2])(-[#6:40](=[#8:39])-[#6:42])-[H:55]

EVODEX.1-Em41 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]

EVODEX.1-Cm60 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:42]-[#8:44].[H]-[#7:49]>>[#6:42]-[#7:49].[#15]-[#8:44]

EVODEX.1-Nm46 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]

Source Full Reactions

EVODEX.1-R7557

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C:4]([O:5][H:51])([H:52])[H:53])[C@@:6]([O:7][H:54])([C:8](=[O:9])[O:10][H:55])[H:56])([H:57])([H:58])[H:59].[H][N:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:60])([H:61])[H:62])([H:63])[H:64])[H:65].[N:17]([C:18]1:[N:19]:[C:20]([H:67]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:68]):[N:26]:2[C@:27]1([H:69])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:70])[O:35][P:36](=[O:37])([O:38][H:71])[O:39][P:40](=[O:41])([O:42][H:72])[O:43][H:73])([H:74])[H:75])([H:76])[C@:44]([O:45][H:77])([H:78])[C@:46]1([O:47][H:79])[H:80])([H:81])[H:82]>>[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C:4]([O:5][H:51])([H:52])[H:53])[C@@:6]([O:7][H:54])([C:8](=[O:9])[N:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:60])([H:61])[H:62])([H:63])[H:64])[H:65])[H:56])([H:57])([H:58])[H:59].[O:10]([P:32]([O:31][C:30]([C@@:29]1([H:76])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:67]):[N:19]:[C:18]([N:17]([H:81])[H:82]):[C:23]:3:[N:24]:[C:25]:2[H:68])([H:69])[C@@:46]([O:47][H:79])([H:80])[C@@:44]1([O:45][H:77])[H:78])([H:74])[H:75])(=[O:33])[O:34][H:70])[H:55].[H][O:35][P:36](=[O:37])([O:38][H:71])[O:39][P:40](=[O:41])([O:42][H:72])[O:43][H:73]