Water → N-[3,5-dimethyl-4-[(nitromethyl)sulphonyl]phenyl]methanesulphonamide

HRID 105544

Reaction equation

HRID 105544 reaction equation
[CH2:40]([Cl:41])[Cl:42].[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:6][c:7]1[cH:8][c:9]([NH2:10])[cH:11][c:12]([CH3:21])[c:13]1[S:14](=[O:15])(=[O:16])[CH2:17][N+:18](=[O:19])[O-:20].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1.[OH2:28].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1>>[CH3:1][S:2](=[O:4])(=[O:5])[NH:10][c:9]1[cH:8][c:7]([CH3:6])[c:13]([S:14](=[O:15])(=[O:16])[CH2:17][N+:18](=[O:19])[O-:20])[c:12]([CH3:21])[cH:11]1

Participants

9

Reactant 8

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 31297Methanesulfonyl chlorideHCID 195716Ici 222155

Product 1

HCID 18676571N-[3,5-dimethyl-4-[(nitromethyl)sulphonyl]phenyl]methanesulphonamide

Sources & evidence

ORD record
ord-7615615ea9dc4ace8aba0046f5ac3460
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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