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EVODEX.1-P3538

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:59])[O:7][C@:6]([N:5]2:[C:4]([H:53]):[C:3]([H:52]):[C:2]([N:1]([H:64])[H:65]):[N:21]:[C:19]:2=[O:20])([H:54])[C@@:17]([O:18][H:62])([H:63])[C@@:15]1([O:16][H:60])[H:61])([H:57])[H:58])(=[O:12])[O:14][H:56].[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:75])[O:50][H:76]>>[N:1]([C:2]1:[C:3]([H:52]):[C:4]([H:53]):[N:5]([C@:6]2([H:54])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][P:47](=[O:48])([O:49][H:75])[O:50][H:76])[O:14][H:56])([H:57])[H:58])([H:59])[C@:15]([O:16][H:60])([H:61])[C@:17]2([O:18][H:62])[H:63]):[C:19](=[O:20]):[N:21]:1)([H:64])[H:65]

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-C876 - Reaction Operator C

Reaction Operator C SMIRKS

[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]-[#15:50].([H]-[#8:17].[#6@@:21]-[#6@@:19])>>([#8:17]-[#15:50].[#6@:19]-[#6@:21])

EVODEX.1-N1231 - Reaction Operator N

Reaction Operator N SMIRKS

[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]-[#15:50](=[#8:51])(-[#8:52])-[#8:53].([H]-[#8:17]-[#15:15].[#8:22]-[#6@:21](-[#6@:10])(-[H:82])-[#6@@:19](-[#6@@:12])(-[#8:20])-[H:80])>>([#15:15]-[#8:17]-[#15:50](=[#8:51])(-[#8:52])-[#8:53].[#8:20]-[#6@@:19](-[#6@@:12])(-[H:80])-[#6@:21](-[#6@:10])(-[#8:22])-[H:82])

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-R4242

Full Reaction Rendering

[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:59])[O:7][C@:6]([N:5]2:[C:4]([H:53]):[C:3]([H:52]):[C:2]([N:1]([H:64])[H:65]):[N:21]:[C:19]:2=[O:20])([H:54])[C@@:17]([O:18][H:62])([H:63])[C@@:15]1([O:16][H:60])[H:61])([H:57])[H:58])(=[O:12])[O:14][H:56].[N:22]([C:23]1:[N:24]:[C:25]([H:66]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:67]):[N:31]:2[C@@:32]1([H:68])[C:33]([H:69])([H:70])[C@@:34]([O:35][H:71])([H:72])[C@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:73])[O:42][P:43](=[O:44])([O:45][H:74])[O:46][P:47](=[O:48])([O:49][H:75])[O:50][H:76])([H:77])[H:78])([H:79])[O:51]1)([H:80])[H:81]>>[N:1]([C:2]1:[C:3]([H:52]):[C:4]([H:53]):[N:5]([C@:6]2([H:54])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][P:47](=[O:48])([O:49][H:75])[O:50][H:76])[O:14][H:56])([H:57])[H:58])([H:59])[C@:15]([O:16][H:60])([H:61])[C@:17]2([O:18][H:62])[H:63]):[C:19](=[O:20]):[N:21]:1)([H:64])[H:65].[H][O:46][P:43]([O:42][P:39]([O:38][C:37]([C@:36]1([H:79])[C@:34]([O:35][H:71])([H:72])[C:33]([H:69])([H:70])[C@@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:66]):[N:24]:[C:23]([N:22]([H:80])[H:81]):[C:28]:3:[N:29]:[C:30]:2[H:67])([H:68])[O:51]1)([H:77])[H:78])(=[O:40])[O:41][H:73])(=[O:44])[O:45][H:74]