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EVODEX.1-P3276

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][H:53])([H:54])[H:55])([H:56])[C@:16]([O:17][P:18](=[O:19])([O:20][H:57])[O:21][P:22](=[O:23])([O:24][H:58])[O:25][P:26](=[O:27])([O:28][H:59])[O:29][H:60])([H:61])[C@:30]1([F:31])[H:62])([H:63])[H:64]>>[H][O:25][P:22]([O:21][P:18]([O:17][C@:16]1([H:61])[C@:13]([C:14]([O:15][H:53])([H:54])[H:55])([H:56])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]1([F:31])[H:62])(=[O:19])[O:20][H:57])(=[O:23])[O:24][H:58].[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])O[P:26](=[O:27])([O:28][H:59])[O:29][H:60]

Derived Operators

EVODEX.1-F70 - Elemental Balance

O3
C10
N5
H13

EVODEX.1-M217 - Mass Difference

251.10199

EVODEX.1-E617 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:24]-[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:31]>>[#15:24]-[#8:27]-[H].[#15:28](=[#8:29])(-[#8:30])(-[#8:31])-[#8]-[#6](-[#6@]1(-[H])-[#6@](-[#8]-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#8]-1)(-[H])-[H]

EVODEX.1-C1300 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:25]-[#15:26].[#6@@:13].[#6@:30])>>([H]-[#8:25].[#6@:13].[#6@@:30]).[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]-[#15:26]

EVODEX.1-N1624 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:12]1-[#6@:11]-[#6@@:30](-[#6@:16]-[#6@:13]-1(-[#6:14])-[H:56])(-[#9:31])-[H:62].[#15:22]-[#8:25]-[#15:26](=[#8:27])(-[#8:28])-[#8:29])>>([H]-[#8:25]-[#15:22].[#6:14]-[#6@@:13]1(-[#6@:16]-[#6@:30](-[#6@:11]-[#8:12]-1)(-[#9:31])-[H:62])-[H:56]).[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]-[#15:26](=[#8:27])(-[#8:28])-[#8:29]

EVODEX.1-Em9 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:7]-[#15:8]>>[H]-[#8:7].[#8]-[#15:8]

EVODEX.1-Nm10 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]

Source Full Reactions

EVODEX.1-R3917

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][H:53])([H:54])[H:55])([H:56])[C@:16]([O:17][P:18](=[O:19])([O:20][H:57])[O:21][P:22](=[O:23])([O:24][H:58])[O:25][P:26](=[O:27])([O:28][H:59])[O:29][H:60])([H:61])[C@:30]1([F:31])[H:62])([H:63])[H:64].[H][O:48][C:47]([C@:46]1([H:75])[C@:44]([O:45][H:70])([H:71])[C:43]([H:68])([H:69])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:65]):[N:34]:[C:33]([N:32]([H:76])[H:77]):[C:38]:3:[N:39]:[C:40]:2[H:66])([H:67])[O:49]1)([H:73])[H:74]>>[H][O:25][P:22]([O:21][P:18]([O:17][C@:16]1([H:61])[C@:13]([C:14]([O:15][H:53])([H:54])[H:55])([H:56])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]1([F:31])[H:62])(=[O:19])[O:20][H:57])(=[O:23])[O:24][H:58].[P:26](=[O:27])([O:28][H:59])([O:29][H:60])[O:48][C:47]([C@:46]1([H:75])[C@:44]([O:45][H:70])([H:71])[C:43]([H:68])([H:69])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:65]):[N:34]:[C:33]([N:32]([H:76])[H:77]):[C:38]:3:[N:39]:[C:40]:2[H:66])([H:67])[O:49]1)([H:73])[H:74]