2,2,2-Trifluoroethanol → 2,6-Difluoro-N-{2-fluoro-3-[5-(2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-4-pyrimidinyl)-2-(4-morpholinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide

HRID 107049Notes

Reaction equation

HRID 107049 reaction equation
[CH3:38][S:39](=[O:40])(=[O:41])[N:42]1[CH2:43][CH2:44][CH:45]([NH2:48])[CH2:46][CH2:47]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:19]3[c:20]([F:37])[c:21]([NH:25][S:26](=[O:27])(=[O:28])[c:29]4[c:30]([F:36])[cH:31][cH:32][cH:33][c:34]4[F:35])[cH:22][cH:23][cH:24]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[s:12]2)[n:7]1.[OH:49][CH2:50][C:51]([F:52])([F:53])[F:54]>>[c:2]1([NH:48][CH:45]2[CH2:44][CH2:43][N:42]([S:39]([CH3:38])(=[O:40])=[O:41])[CH2:47][CH2:46]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:19]3[c:20]([F:37])[c:21]([NH:25][S:26](=[O:27])(=[O:28])[c:29]4[c:30]([F:36])[cH:31][cH:32][cH:33][c:34]4[F:35])[cH:22][cH:23][cH:24]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[s:12]2)[n:7]1

Participants

4

Reactant 3

HCID 64092,2,2-TrifluoroethanolHCID 113558261-(Methanesulfonyl)piperidin-4-amineHCID 57989866N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(4-morpholinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

Product 1

HCID 579896602,6-Difluoro-N-{2-fluoro-3-[5-(2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-4-pyrimidinyl)-2-(4-morpholinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide

Sources & evidence

ORD record
ord-2fc33f5ecf2e43b3949e2645c9c45966
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…