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EVODEX.1-P3535

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:14][P:12]([O:11][C:10]([C:9]1([H:60])[S:8][C:7]([H:54])([H:55])[C@@:6]([N:5]2:[C:4]([H:52]):[C:3]([H:51]):[C:2]([N:1]([H:61])[H:62]):[N:19]:[C:17]:2=[O:18])([H:53])[O:16]1)([H:58])[H:59])(=[O:13])[O:15][H:57].[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:43](=[O:44])([O:45][H:68])[O:46][H:69]>>[N:1]([C:2]1:[C:3]([H:51]):[C:4]([H:52]):[N:5]([C@@:6]2([H:53])[C:7]([H:54])([H:55])[S:8][C:9]([C:10]([O:11][P:12](=[O:13])([O:14][P:43](=[O:44])([O:45][H:68])[O:46][H:69])[O:15][H:57])([H:58])[H:59])([H:60])[O:16]2):[C:17](=[O:18]):[N:19]:1)([H:61])[H:62]

Derived Operators

EVODEX.1-F125 - Elemental Balance

P-2
O-10
C-10
N-5
H-15

EVODEX.1-M11 - Mass Difference

-427.02955

EVODEX.1-E756 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:14]-[#8:16]-[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](=[#8])(-[#8]-[H])-[#8]-[#15:47](=[#8:48])(-[#8:49])-[#8:50])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#15:14]-[#8:16]-[#15:47](=[#8:48])(-[#8:49])-[#8:50]

EVODEX.1-C43 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:8].[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]-[#15:33]>>[#8:8]-[#15:33]

EVODEX.1-N1109 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em31 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]

EVODEX.1-Cm9 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm32 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]

Source Full Reactions

EVODEX.1-R4236

Full Reaction Rendering

[H][O:14][P:12]([O:11][C:10]([C:9]1([H:60])[S:8][C:7]([H:54])([H:55])[C@@:6]([N:5]2:[C:4]([H:52]):[C:3]([H:51]):[C:2]([N:1]([H:61])[H:62]):[N:19]:[C:17]:2=[O:18])([H:53])[O:16]1)([H:58])[H:59])(=[O:13])[O:15][H:57].[N:20]([C:21]1:[N:22]:[C:23]([H:63]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:64]):[N:29]:2[C@:30]1([H:65])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:66])[O:38][P:39](=[O:40])([O:41][H:67])[O:42][P:43](=[O:44])([O:45][H:68])[O:46][H:69])([H:70])[H:71])([H:72])[C@:47]([O:48][H:73])([H:74])[C@:49]1([O:50][H:75])[H:76])([H:77])[H:78]>>[N:1]([C:2]1:[C:3]([H:51]):[C:4]([H:52]):[N:5]([C@@:6]2([H:53])[C:7]([H:54])([H:55])[S:8][C:9]([C:10]([O:11][P:12](=[O:13])([O:14][P:43](=[O:44])([O:45][H:68])[O:46][H:69])[O:15][H:57])([H:58])[H:59])([H:60])[O:16]2):[C:17](=[O:18]):[N:19]:1)([H:61])[H:62].[H][O:42][P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:72])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:63]):[N:22]:[C:21]([N:20]([H:77])[H:78]):[C:26]:3:[N:27]:[C:28]:2[H:64])([H:65])[C@@:49]([O:50][H:75])([H:76])[C@@:47]1([O:48][H:73])[H:74])([H:70])[H:71])(=[O:36])[O:37][H:66])(=[O:40])[O:41][H:67]