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EVODEX.1-P3438

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1:[C:3]([H:48]):[N:4]([C@@:5]2([H:49])[C:6]([H:50])([H:51])[C@@:7]([O:8][H:52])([H:53])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:54])[O:15][P:16](=[O:17])([O:18][H:55])[O:19][P:20](=[O:21])([O:22][H:56])[O:23][H:57])([H:58])[H:59])([H:60])[O:24]2):[C:25](=[O:26]):[N:27]([H:61]):[C:28]:1=[O:29])([H:62])([H:63])[H:64]>>[H][O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:60])[C@:7]([O:8][H:52])([H:53])[C:6]([H:50])([H:51])[C@@:5]([N:4]2:[C:3]([H:48]):[C:2]([C:1]([H:62])([H:63])[H:64]):[C:28](=[O:29]):[N:27]([H:61]):[C:25]:2=[O:26])([H:49])[O:24]1)([H:58])[H:59])(=[O:13])[O:14][H:54])(=[O:17])[O:18][H:55].[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:20](=[O:21])([O:22][H:56])[O:23][H:57]

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-C1314 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:19]-[#15:20].[#6@@:7])>>([H]-[#8:19].[#6@:7]).[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]-[#15:20]

EVODEX.1-N1650 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:6]-[#6@@:7](-[#8:8])(-[H:53])-[#6@:9].[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23])>>([H]-[#8:19]-[#15:16].[#8:8]-[#6@@:7](-[#6@:9])(-[H:53])-[#6:6]).[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]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]

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-R4122

Full Reaction Rendering

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