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EVODEX.1-P3732

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:32][C:33]([C:34]1:[C:35]([H:55]):[C:36]([H:56]):[C:37]([H:57]):[C:38]([H:58]):[C:39]:1[H:59])([H:60])[H:61]>>[H]OS(=O)(=O)[O:32][C:33]([C:34]1:[C:35]([H:55]):[C:36]([H:56]):[C:37]([H:57]):[C:38]([H:58]):[C:39]:1[H:59])([H:60])[H:61]

Derived Operators

EVODEX.1-F286 - Elemental Balance

O3
S1

EVODEX.1-M143 - Mass Difference

79.9568

EVODEX.1-E1043 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#8:8]-[H]>>[#6:7]-[#8:8]-[#16](=[#8])(=[#8])-[#8]-[H]

EVODEX.1-C482 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:3]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#8:3]

EVODEX.1-N592 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:3]-[#6:2]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#8:3]-[#6:2]

EVODEX.1-Em568 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:3]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#8:3]-[#6:2]

EVODEX.1-Cm257 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:3]>>[#16]-[#8:3]

EVODEX.1-Nm514 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:3]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#8:3]-[#6:2]

Source Full Reactions

EVODEX.1-R4561

Full Reaction Rendering

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

EVODEX.1-R4612

Full Reaction Rendering

[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:23]):[C:6]([H:24]):[C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:25]):[C:13]([H:26]):[C:14]:1[H:27].[H][O:15][C:16]([C:17]1:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1[H:32])([H:33])[H:34]>>[H][O:8][C:7]1:[C:6]([H:24]):[C:5]([H:23]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:27]):[C:13]:1[H:26].[S:9](=[O:10])(=[O:11])([O:12][H:25])[O:15][C:16]([C:17]1:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1[H:32])([H:33])[H:34]