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EVODEX.1-P3554

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:18][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:64])[C@:7]([O:8][H:57])([H:58])[C:6]([H:55])([H:56])[C@@:5]([N:4]2:[C:3]([H:53]):[C:2]([C:1]([H:66])([H:67])[H:68]):[C:24](=[O:25]):[N:23]([H:65]):[C:21]:2=[O:22])([H:54])[O:20]1)([H:62])[H:63])(=[O:13])[O:14][H:59])(=[O:17])[O:19][H:61].[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])O[P:45](=[O:46])([O:47][H:73])[O:48][H:74]>>[C:1]([C:2]1:[C:3]([H:53]):[N:4]([C@@:5]2([H:54])[C:6]([H:55])([H:56])[C@@:7]([O:8][H:57])([H:58])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:59])[O:15][P:16](=[O:17])([O:18][P:45](=[O:46])([O:47][H:73])[O:48][H:74])[O:19][H:61])([H:62])[H:63])([H:64])[O:20]2):[C:21](=[O:22]):[N:23]([H:65]):[C:24]:1=[O:25])([H:66])([H:67])[H:68]

Derived Operators

EVODEX.1-F113 - Elemental Balance

P-1
O-7
C-10
N-5
H-14

EVODEX.1-M24 - Mass Difference

-347.06321999999994

EVODEX.1-E723 - 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])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:48](=[#8:49])(-[#8:50])-[#8:51])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#15:15]-[#8:17]-[H]>>[#15:15]-[#8:17]-[#15:48](=[#8:49])(-[#8:50])-[#8:51]

EVODEX.1-C974 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:19].[#6@: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]-[#15:44]>>([#8:19]-[#15:44].[#6@@:8])

EVODEX.1-N1348 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:19]-[#15:17].[#8:9]-[#6@@:8](-[#6@:10])(-[H:58])-[#6:7]).[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]-[#15:44](=[#8:45])(-[#8:46])-[#8:47]>>([#6:7]-[#6@@:8](-[#8:9])(-[H:58])-[#6@:10].[#15:17]-[#8:19]-[#15:44](=[#8:45])(-[#8:46])-[#8:47])

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-R4272

Full Reaction Rendering

[H][O:18][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:64])[C@:7]([O:8][H:57])([H:58])[C:6]([H:55])([H:56])[C@@:5]([N:4]2:[C:3]([H:53]):[C:2]([C:1]([H:66])([H:67])[H:68]):[C:24](=[O:25]):[N:23]([H:65]):[C:21]:2=[O:22])([H:54])[O:20]1)([H:62])[H:63])(=[O:13])[O:14][H:59])(=[O:17])[O:19][H:61].[N:26]([C:27]1:[N:28]:[C:29]([H:69]):[N:30]:[C:31]2:[C:32]:1:[N:33]:[C:34]([H:70]):[N:35]:2[C@:36]1([H:71])[O:37][C@@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:72])[O:44][P:45](=[O:46])([O:47][H:73])[O:48][H:74])([H:75])[H:76])([H:77])[C@:49]([O:50][H:78])([H:79])[C@:51]1([O:52][H:80])[H:81])([H:82])[H:83]>>[C:1]([C:2]1:[C:3]([H:53]):[N:4]([C@@:5]2([H:54])[C:6]([H:55])([H:56])[C@@:7]([O:8][H:57])([H:58])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:59])[O:15][P:16](=[O:17])([O:18][P:45](=[O:46])([O:47][H:73])[O:48][H:74])[O:19][H:61])([H:62])[H:63])([H:64])[O:20]2):[C:21](=[O:22]):[N:23]([H:65]):[C:24]:1=[O:25])([H:66])([H:67])[H:68].[H][O:44][P:41]([O:40][C:39]([C@@:38]1([H:77])[O:37][C@:36]([N:35]2:[C:31]3:[N:30]:[C:29]([H:69]):[N:28]:[C:27]([N:26]([H:82])[H:83]):[C:32]:3:[N:33]:[C:34]:2[H:70])([H:71])[C@@:51]([O:52][H:80])([H:81])[C@@:49]1([O:50][H:78])[H:79])([H:75])[H:76])(=[O:42])[O:43][H:72]