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EVODEX.1-P3329

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F385 - Elemental Balance

P2
O10
C10
N5
H15

EVODEX.1-M27 - Mass Difference

427.02955

EVODEX.1-E1181 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:14](-[#6@@:2])-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#8:14](-[#6@@:2])-[H].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8]-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H]

EVODEX.1-C881 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:23]-[#15:24].[#6@@:11])>>([H]-[#8:23].[#6@:11]).[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](=[#8])(-[#8]-[H])-[#8]-[#15:24]

EVODEX.1-N1635 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6@@:7](-[#8:8])(-[H:54])-[#6@:9]-[#6:10]-[#8:11]-[#15:12](=[#8:13])(-[#8:14])-[#8:15]>>[H]-[#8:11]-[#6:10]-[#6@:9]-[#6@:7](-[#8:8])(-[H:54])-[#6:6].[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](=[#8])(-[#8]-[H])-[#8]-[#15:12](=[#8:13])(-[#8:14])-[#8:15]

EVODEX.1-Em63 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:32]-[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]>>[H]-[#8:33]-[#6:32].[#15]-[#8]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm76 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:32]-[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]>>[H]-[#8:33]-[#6:32].[#15]-[#8]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]

Source Full Reactions

EVODEX.1-R3978

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:49]):[N:4]([C@@:5]2([H:50])[C:6]([H:51])([H:52])[C@@:7]([O:8][H:53])([H:54])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:55])[O:15][H:56])([H:57])[H:58])([H:59])[O:16]2):[C:17](=[O:18]):[N:19]([H:60]):[C:20]:1=[O:21])([H:61])([H:62])[H:63].[H][O:43][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:72])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:64]):[N:24]:[C:23]([N:22]([H:77])[H:78]):[C:28]:3:[N:29]:[C:30]:2[H:65])([H:66])[C@@:47]([O:48][H:75])([H:76])[C@@:45]1([O:46][H:73])[H:74])([H:70])[H:71])(=[O:38])[O:39][H:67])(=[O:42])[O:44][H:69]>>[H][O:11][C:10]([C@:9]1([H:59])[C@:7]([O:8][H:53])([H:54])[C:6]([H:51])([H:52])[C@@:5]([N:4]2:[C:3]([H:49]):[C:2]([C:1]([H:61])([H:62])[H:63]):[C:20](=[O:21]):[N:19]([H:60]):[C:17]:2=[O:18])([H:50])[O:16]1)([H:57])[H:58].[P:12](=[O:13])([O:14][H:55])([O:15][H:56])[O:43][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:72])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:64]):[N:24]:[C:23]([N:22]([H:77])[H:78]):[C:28]:3:[N:29]:[C:30]:2[H:65])([H:66])[C@@:47]([O:48][H:75])([H:76])[C@@:45]1([O:46][H:73])[H:74])([H:70])[H:71])(=[O:38])[O:39][H:67])(=[O:42])[O:44][H:69]