Isopropanol → 2,4-Difluoro-N-{2-fluoro-5-[2-(1-methylethyl)-5-(2-{[2-(methylsulfonyl)ethyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide

HRID 87820Notes

Reaction equation

HRID 87820 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][CH2:6][NH2:7].[CH:42]([OH:43])([CH3:44])[CH3:45].[Cl:8][c:9]1[n:10][cH:11][cH:12][c:13](-[c:15]2[c:16](-[c:23]3[cH:24][cH:25][c:26]([F:41])[c:27]([NH:29][S:30](=[O:31])(=[O:32])[c:33]4[c:34]([F:40])[cH:35][c:36]([F:39])[cH:37][cH:38]4)[cH:28]3)[n:17][c:18]([CH:20]([CH3:21])[CH3:22])[s:19]2)[n:14]1>>[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][CH2:6][NH:7][c:9]1[n:10][cH:11][cH:12][c:13](-[c:15]2[c:16](-[c:23]3[cH:24][cH:25][c:26]([F:41])[c:27]([NH:29][S:30](=[O:31])(=[O:32])[c:33]4[c:34]([F:40])[cH:35][c:36]([F:39])[cH:37][cH:38]4)[cH:28]3)[n:17][c:18]([CH:20]([CH3:21])[CH3:22])[s:19]2)[n:14]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 43405612-(Methylsulfonyl)ethanamineHCID 57989690N-{5-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,4-difluorobenzenesulfonamide

Product 1

HCID 579898802,4-Difluoro-N-{2-fluoro-5-[2-(1-methylethyl)-5-(2-{[2-(methylsulfonyl)ethyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide

Sources & evidence

ORD record
ord-c42586ec9462489db425ad8097d0824c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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