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EVODEX.1-P3567

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:19][P:17]([O:16][P:13]([O:12][C:11]([C@:10]1([H:64])[C@:8]([O:9][H:57])([H:58])[C:7]([H:55])([H:56])[C@@:6]([N:5]2:[C:4]([H:53]):[C:3]([H:52]):[C:2]([N:1]([H:65])[H:66]):[N:24]:[C:22]:2=[O:23])([H:54])[O:21]1)([H:62])[H:63])(=[O:14])[O:15][H:59])(=[O:18])[O:20][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:44](=[O:45])([O:46][H:71])[O:47][H:72]>>[N:1]([C:2]1:[C:3]([H:52]):[C:4]([H:53]):[N:5]([C@@:6]2([H:54])[C:7]([H:55])([H:56])[C@@:8]([O:9][H:57])([H:58])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:59])[O:16][P:17](=[O:18])([O:19][P:44](=[O:45])([O:46][H:71])[O:47][H:72])[O:20][H:61])([H:62])[H:63])([H:64])[O:21]2):[C:22](=[O:23]):[N:24]:1)([H:65])[H:66]

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-R4300

Full Reaction Rendering

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