o-Toluenesulfonyl chloride → N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2-methylbenzenesulfonamide

HRID 1121646Notes

Reaction equation

HRID 1121646 reaction equation
[CH3:57][c:58]1[c:59]([S:64](=[O:65])(=[O:66])[Cl:67])[cH:60][cH:61][cH:62][cH:63]1.[Cl:1][c:2]1[n:3][c:4](-[c:5]2[s:6][c:7]([CH:8]([CH3:9])[CH3:10])[n:11][c:12]2-[c:13]2[cH:14][c:15]([NH:16][S:17]([c:18]3[c:19]([F:20])[cH:21][cH:22][cH:23][c:24]3[F:25])(=[O:26])=[O:27])[cH:28][cH:29][cH:30]2)[cH:31][cH:32][n:33]1.[Cl:34][c:35]1[n:36][cH:37][cH:38][c:39](-[c:41]2[c:42](-[c:49]3[c:50]([F:56])[c:51]([NH2:52])[cH:53][cH:54][cH:55]3)[n:43][c:44]([CH:46]([CH3:47])[CH3:48])[s:45]2)[n:40]1>>[Cl:34][c:35]1[n:36][cH:37][cH:38][c:39](-[c:41]2[c:42](-[c:49]3[c:50]([F:56])[c:51]([NH:52][S:64]([c:59]4[c:58]([CH3:57])[cH:63][cH:62][cH:61][cH:60]4)(=[O:65])=[O:66])[cH:53][cH:54][cH:55]3)[n:43][c:44]([CH:46]([CH3:47])[CH3:48])[s:45]2)[n:40]1

Participants

4

Reactant 3

HCID 8623o-Toluenesulfonyl chlorideHCID 579900183-(5-(2-Chloropyrimidin-4-yl)-2-isopropylthiazol-4-yl)-2-fluoroanilineHCID 57990030N-{3-[5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]phenyl}-2,6-difluorobenzenesulfonamide

Product 1

HCID 57989645N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2-methylbenzenesulfonamide

Sources & evidence

ORD record
ord-fab3563e8d7e45509530a6c207def883
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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