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EVODEX.1-P7064

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:15]([C@@:14]([C:13]([C:12]([H:56])([H:57])[H:58])([H:54])[H:55])([C:16](=[O:17])[O:18][H:52])[H:53])[H:50].[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:59])([H:60])[H:61])([C:7]([N:8]([H:62])[H:63])([C:9](=[O:10])[O:11][H:64])[H:65])[H:66])([H:67])([H:68])[H:69]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:59])([H:60])[H:61])([C:7]([N:8]([H:62])[H:63])([C:9](=[O:10])[N:15]([C@@:14]([C:13]([C:12]([H:56])([H:57])[H:58])([H:54])[H:55])([C:16](=[O:17])[O:18][H:52])[H:53])[H:50])[H:65])[H:66])([H:67])([H:68])[H:69].[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:11][H:64]

Derived Operators

EVODEX.1-F112 - Elemental Balance

P2
O9
C10
N5
H13

EVODEX.1-M32 - Mass Difference

409.01899

EVODEX.1-C181 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N95 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:108].[H]-[#7:49](-[#6@@:48])-[H:116]>>[#6:42](-[#6@:40])(=[#8:43])-[#7:49](-[#6@@:48])-[H:116].[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])-[#8:44]-[H:108]

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-R7676

Full Reaction Rendering

[H][N:15]([C@@:14]([C:13]([C:12]([H:56])([H:57])[H:58])([H:54])[H:55])([C:16](=[O:17])[O:18][H:52])[H:53])[H:50].[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:59])([H:60])[H:61])([C:7]([N:8]([H:62])[H:63])([C:9](=[O:10])[O:11][H:64])[H:65])[H:66])([H:67])([H:68])[H:69].[N:19]([C:20]1:[N:21]:[C:22]([H:70]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:71]):[N:28]:2[C@:29]1([H:72])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:73])[O:37][P:38](=[O:39])([O:40][H:74])[O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76])([H:77])[H:78])([H:79])[C@:46]([O:47][H:80])([H:81])[C@:48]1([O:49][H:82])[H:83])([H:84])[H:85]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:59])([H:60])[H:61])([C:7]([N:8]([H:62])[H:63])([C:9](=[O:10])[N:15]([C@@:14]([C:13]([C:12]([H:56])([H:57])[H:58])([H:54])[H:55])([C:16](=[O:17])[O:18][H:52])[H:53])[H:50])[H:65])[H:66])([H:67])([H:68])[H:69].[O:11]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:79])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:70]):[N:21]:[C:20]([N:19]([H:84])[H:85]):[C:25]:3:[N:26]:[C:27]:2[H:71])([H:72])[C@@:48]([O:49][H:82])([H:83])[C@@:46]1([O:47][H:80])[H:81])([H:77])[H:78])(=[O:35])[O:36][H:73])(=[O:39])[O:40][H:74])[H:64].[H][O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76]