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EVODEX.1-P3431

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:15][C:14]([C@@:13]1([H:57])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:51]):[N:3]:[C:2]([N:1]([H:60])[H:61]):[C:7]:3:[N:8]:[C:9]:2[H:52])([H:53])[C@:18]([F:19])([H:59])[C@:16]1([F:17])[H:58])([H:55])[H:56].[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:39](=[O:40])([O:41][H:66])[O:42][P:43](=[O:44])([O:45][H:67])[O:46][H:68]>>[N:1]([C:2]1:[N:3]:[C:4]([H:51]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:52]):[N:10]:2[C@:11]1([H:53])[O:12][C@@:13]([C:14]([O:15][P:39](=[O:40])([O:41][H:66])[O:42][P:43](=[O:44])([O:45][H:67])[O:46][H:68])([H:55])[H:56])([H:57])[C@@:16]([F:17])([H:58])[C@@:18]1([F:19])[H:59])([H:60])[H:61]

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-E722 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:17](-[#6@: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]-[#15:39](=[#8:40])(-[#8:41])-[#8:42])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:17](-[#6@:16])-[#15:39](=[#8:40])(-[#8:41])-[#8:42]

EVODEX.1-C472 - Reaction Operator C

Reaction Operator C SMIRKS

[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]-[#15:48].([H]-[#8:17].[#6@@:25]-[#6@@:19])>>([#8:17]-[#15:48].[#6@:19]-[#6@:25])

EVODEX.1-N1648 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:15]-[#6:14]-[#6@@:13]-[#6@@:16](-[#6@@:18](-[#6@:11])(-[#9:19])-[H:59])(-[#9:17])-[H:58].[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]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]>>[#6:14](-[#6@@:13]-[#6@@:16](-[#9:17])(-[H:58])-[#6@@:18](-[#6@:11])(-[#9:19])-[H:59])-[#8:15]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]

EVODEX.1-Em5 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

EVODEX.1-Cm9 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm6 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R4114

Full Reaction Rendering

[H][O:15][C:14]([C@@:13]1([H:57])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:51]):[N:3]:[C:2]([N:1]([H:60])[H:61]):[C:7]:3:[N:8]:[C:9]:2[H:52])([H:53])[C@:18]([F:19])([H:59])[C@:16]1([F:17])[H:58])([H:55])[H:56].[N:20]([C:21]1:[N:22]:[C:23]([H:62]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:63]):[N:29]:2[C@:30]1([H:64])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:65])[O:38][P:39](=[O:40])([O:41][H:66])[O:42][P:43](=[O:44])([O:45][H:67])[O:46][H:68])([H:69])[H:70])([H:71])[C@:47]([O:48][H:72])([H:73])[C@:49]1([O:50][H:74])[H:75])([H:76])[H:77]>>[N:1]([C:2]1:[N:3]:[C:4]([H:51]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:52]):[N:10]:2[C@:11]1([H:53])[O:12][C@@:13]([C:14]([O:15][P:39](=[O:40])([O:41][H:66])[O:42][P:43](=[O:44])([O:45][H:67])[O:46][H:68])([H:55])[H:56])([H:57])[C@@:16]([F:17])([H:58])[C@@:18]1([F:19])[H:59])([H:60])[H:61].[H][O:38][P:35]([O:34][C:33]([C@@:32]1([H:71])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:62]):[N:22]:[C:21]([N:20]([H:76])[H:77]):[C:26]:3:[N:27]:[C:28]:2[H:63])([H:64])[C@@:49]([O:50][H:74])([H:75])[C@@:47]1([O:48][H:72])[H:73])([H:69])[H:70])(=[O:36])[O:37][H:65]