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EVODEX.1-P3440

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])[C:12]([H:53])([H:54])[C@@:13]([F:14])([O:15][P:16](=[O:17])([O:18][H:55])[O:19][P:20](=[O:21])([O:22][H:56])[O:23][P:24](=[O:25])([O:26][H:57])[O:27][H:58])[C@:28]([C:29]([O:30][H:59])([H:60])[H:61])([H:62])[O:31]1)([H:63])[H:64]>>[H][O:23][P:20]([O:19][P:16]([O:15][C@:13]1([F:14])[C:12]([H:53])([H:54])[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])[O:31][C@@:28]1([C:29]([O:30][H:59])([H:60])[H:61])[H:62])(=[O:17])[O:18][H:55])(=[O:21])[O:22][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])O[P:24](=[O:25])([O:26][H:57])[O:27][H:58]

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-C972 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:23]-[#15:24].[#6@@:13]-[#6@:28])>>([H]-[#8:23].[#6@:13]-[#6@@:28]).[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]-[#15:24]

EVODEX.1-N1651 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:12]-[#6@@:13](-[#9:14])(-[#8:15])-[#6@:28](-[#6:29])(-[H:62])-[#8:31].[#15:20]-[#8:23]-[#15:24](=[#8:25])(-[#8:26])-[#8:27])>>([H]-[#8:23]-[#15:20].[#8:15]-[#6@:13](-[#9:14])(-[#6:12])-[#6@:28](-[#8:31])(-[#6:29])-[H:62]).[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]-[#15:24](=[#8:25])(-[#8:26])-[#8:27]

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-R4126

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])[C:12]([H:53])([H:54])[C@@:13]([F:14])([O:15][P:16](=[O:17])([O:18][H:55])[O:19][P:20](=[O:21])([O:22][H:56])[O:23][P:24](=[O:25])([O:26][H:57])[O:27][H:58])[C@:28]([C:29]([O:30][H:59])([H:60])[H:61])([H:62])[O:31]1)([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:23][P:20]([O:19][P:16]([O:15][C@:13]1([F:14])[C:12]([H:53])([H:54])[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])[O:31][C@@:28]1([C:29]([O:30][H:59])([H:60])[H:61])[H:62])(=[O:17])[O:18][H:55])(=[O:21])[O:22][H:56].[P:24](=[O:25])([O:26][H:57])([O:27][H:58])[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]