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EVODEX.1-P3545

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:14][P:12]([O:11][C:10]([C@:9]1([H:62])[C@:7]([O:8][H:56])([H:57])[C:6]([H:54])([H:55])[C@@:5]([N:4]2:[C:3]([H:52]):[C:2]([C:1]([H:65])([H:66])[H:67]):[C:20]([N:21]([H:63])[H:64]):[N:19]:[C:17]:2=[O:18])([H:53])[O:16]1)([H:60])[H:61])(=[O:13])[O:15][H:59].[H]O[C@@]1([H])C([H])([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:47](=[O:48])([O:49][H:77])[O:50][H:78]>>[C:1]([C:2]1:[C:3]([H:52]):[N:4]([C@@:5]2([H:53])[C:6]([H:54])([H:55])[C@@:7]([O:8][H:56])([H:57])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][P:47](=[O:48])([O:49][H:77])[O:50][H:78])[O:15][H:59])([H:60])[H:61])([H:62])[O:16]2):[C:17](=[O:18]):[N:19]:[C:20]:1[N:21]([H:63])[H:64])([H:65])([H:66])[H:67]

Derived Operators

EVODEX.1-F387 - Elemental Balance

P-2
O-9
C-10
N-5
H-15

EVODEX.1-M155 - Mass Difference

-411.03465

EVODEX.1-E1188 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:50](=[#8:51])(-[#8:52])-[#8:53])(-[H])-[H])(-[H])-[#8]-1)(-[H])-[H].[#15:15]-[#8:17]-[H]>>[#15:15]-[#8:17]-[#15:50](=[#8:51])(-[#8:52])-[#8:53]

EVODEX.1-C1070 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:14].[#6@:7]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[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]-[#15:47]>>([#8:14]-[#15:47].[#6@@:7])

EVODEX.1-N1682 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:14]-[#15:12].[#8:8]-[#6@@:7](-[#6@:9])(-[H:57])-[#6:6]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[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]-[#15:47](=[#8:48])(-[#8:49])-[#8:50]>>([#6:6]-[#6@@:7](-[#8:8])(-[H:57])-[#6@:9].[#15:12]-[#8:14]-[#15:47](=[#8:48])(-[#8:49])-[#8:50])

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-R4254

Full Reaction Rendering

[H][O:14][P:12]([O:11][C:10]([C@:9]1([H:62])[C@:7]([O:8][H:56])([H:57])[C:6]([H:54])([H:55])[C@@:5]([N:4]2:[C:3]([H:52]):[C:2]([C:1]([H:65])([H:66])[H:67]):[C:20]([N:21]([H:63])[H:64]):[N:19]:[C:17]:2=[O:18])([H:53])[O:16]1)([H:60])[H:61])(=[O:13])[O:15][H:59].[N:22]([C:23]1:[N:24]:[C:25]([H:68]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:69]):[N:31]:2[C@@:32]1([H:70])[C:33]([H:71])([H:72])[C@@:34]([O:35][H:73])([H:74])[C@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:75])[O:42][P:43](=[O:44])([O:45][H:76])[O:46][P:47](=[O:48])([O:49][H:77])[O:50][H:78])([H:79])[H:80])([H:81])[O:51]1)([H:82])[H:83]>>[C:1]([C:2]1:[C:3]([H:52]):[N:4]([C@@:5]2([H:53])[C:6]([H:54])([H:55])[C@@:7]([O:8][H:56])([H:57])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][P:47](=[O:48])([O:49][H:77])[O:50][H:78])[O:15][H:59])([H:60])[H:61])([H:62])[O:16]2):[C:17](=[O:18]):[N:19]:[C:20]:1[N:21]([H:63])[H:64])([H:65])([H:66])[H:67].[H][O:46][P:43]([O:42][P:39]([O:38][C:37]([C@:36]1([H:81])[C@:34]([O:35][H:73])([H:74])[C:33]([H:71])([H:72])[C@@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:68]):[N:24]:[C:23]([N:22]([H:82])[H:83]):[C:28]:3:[N:29]:[C:30]:2[H:69])([H:70])[O:51]1)([H:79])[H:80])(=[O:40])[O:41][H:75])(=[O:44])[O:45][H:76]