EVODEX.1-P3763 - Partial Reaction

SMIRKS

[H][N:1]([C:2]1:[C:3]([H:40]):[C:4]([H:41]):[C:5]([Cl:6]):[C:7]([H:42]):[C:8]:1[H:43])[H:44]>>[H]OS(=O)(=O)[N:1]([C:2]1:[C:3]([H:40]):[C:4]([H:41]):[C:5]([Cl:6]):[C:7]([H:42]):[C:8]:1[H:43])[H:44]

Derived Operators

EVODEX.1-F286 - Elemental Balance

O	3
S	1

EVODEX.1-M143 - Mass Difference

79.9568

EVODEX.1-E1044 - Reaction Operator E

[#7:1](-[#6:2])(-[H:70])-[H]>>[#7:1](-[#6:2])(-[#16](=[#8])(=[#8])-[#8]-[H])-[H:70]

EVODEX.1-C484 - Reaction Operator C

[H]-[#7:1]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#7:1]

EVODEX.1-N594 - Reaction Operator N

[H]-[#7:1](-[#6:2])-[H:66]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#7:1](-[#6:2])-[H:66]

EVODEX.1-Em573 - Reaction Operator Em

[H]-[#7:1]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#7:1]-[#6:2]

EVODEX.1-Cm260 - Reaction Operator Cm

[H]-[#7:1]>>[#16]-[#7:1]

EVODEX.1-Nm519 - Reaction Operator Nm

[H]-[#7:1]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#7:1]-[#6:2]

Source Full Reactions

EVODEX.1-R4626

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