Dichloromethane → N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-piperazinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

HRID 1136825Notes

Reaction equation

HRID 1136825 reaction equation
[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:26]3[c:27]([F:44])[c:28]([NH:32][S:33](=[O:34])(=[O:35])[c:36]4[c:37]([F:43])[cH:38][cH:39][cH:40][c:41]4[F:42])[cH:29][cH:30][cH:31]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][N:16]([C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:17][CH2:18]3)[s:12]2)[n:7]1.[Cl:52][CH2:53][Cl:54].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51]>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:26]3[c:27]([F:44])[c:28]([NH:32][S:33](=[O:34])(=[O:35])[c:36]4[c:37]([F:43])[cH:38][cH:39][cH:40][c:41]4[F:42])[cH:29][cH:30][cH:31]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[s:12]2)[n:7]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 579898131,1-Dimethylethyl 4-[5-(2-chloro-4-pyrimidinyl)-4-(3-{[(2,6-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-2-yl]-1-piperazinecarboxylate

Product 1

HCID 57989651N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-piperazinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

Sources & evidence

ORD record
ord-11c6222b3a2b473cb95c28aedba062ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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