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EVODEX.1-P7446

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:53]):[N:16]([H:54]):[C:17]([H:55]):[N:18]:1)([H:56])[H:57])([C:19](=[O:20])[O:21][H:58])[H:59])[H:60].[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:62])[H:63])([C:8](=[O:9])[O:10][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:62])[H:63])([C:8](=[O:9])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:53]):[N:16]([H:54]):[C:17]([H:55]):[N:18]:1)([H:56])[H:57])([C:19](=[O:20])[O:21][H:58])[H:59])[H:60])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75].[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:10][H:64]

Derived Operators

EVODEX.1-F112 - Elemental Balance

P2
O9
C10
N5
H13

EVODEX.1-M32 - Mass Difference

409.01899

EVODEX.1-E718 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[H:51].[#7:6](-[#6@:7])(-[H:84])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#7:6](-[#6@:7])-[H:84].[#8:5](-[#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])-[H:51]

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-R7862

Full Reaction Rendering

[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:53]):[N:16]([H:54]):[C:17]([H:55]):[N:18]:1)([H:56])[H:57])([C:19](=[O:20])[O:21][H:58])[H:59])[H:60].[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:62])[H:63])([C:8](=[O:9])[O:10][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75].[N:22]([C:23]1:[N:24]:[C:25]([H:76]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:77]):[N:31]:2[C@:32]1([H:78])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:79])[O:40][P:41](=[O:42])([O:43][H:80])[O:44][P:45](=[O:46])([O:47][H:81])[O:48][H:82])([H:83])[H:84])([H:85])[C@:49]([O:50][H:86])([H:87])[C@:51]1([O:52][H:88])[H:89])([H:90])[H:91]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:62])[H:63])([C:8](=[O:9])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:53]):[N:16]([H:54]):[C:17]([H:55]):[N:18]:1)([H:56])[H:57])([C:19](=[O:20])[O:21][H:58])[H:59])[H:60])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75].[O:10]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:85])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:76]):[N:24]:[C:23]([N:22]([H:90])[H:91]):[C:28]:3:[N:29]:[C:30]:2[H:77])([H:78])[C@@:51]([O:52][H:88])([H:89])[C@@:49]1([O:50][H:86])[H:87])([H:83])[H:84])(=[O:38])[O:39][H:79])(=[O:42])[O:43][H:80])[H:64].[H][O:44][P:45](=[O:46])([O:47][H:81])[O:48][H:82]