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EVODEX.1-P3582

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F283 - Elemental Balance

P1
O7
C10
N5
H14

EVODEX.1-M78 - Mass Difference

347.06321999999994

EVODEX.1-E1039 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:27](-[#6@:26])-[#15:28](=[#8:29])(-[#8:30])-[#8:31]>>[#8:27](-[#6@:26])-[H].[#15:28](=[#8:29])(-[#8:30])(-[#8:31])-[#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]

EVODEX.1-C877 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:12]-[#15:13]>>[H]-[#8:12].[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]-[#15:13]

EVODEX.1-N1214 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:12](-[#6@:9])-[#15:13](=[#8:14])(-[#8:15])-[#8:16]>>[H]-[#8:12]-[#6@:9].[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]-[#15:13](=[#8:14])(-[#8:15])-[#8:16]

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-R4321

Full Reaction Rendering

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