3-(Methylthio)propylamine → 2,6-Difluoro-N-{2-fluoro-3-[5-(2-{[3-(methylthio)propyl]amino}-4-pyrimidinyl)-2-(4-morpholinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide

반응식

[CH3:38][S:39][CH2:40][CH2:41][CH2:42][NH2:43].[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>>[c:2]1([NH:43][CH2:42][CH2:41][CH2:40][S:39][CH3:38])[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

참가 물질

반응물 2

HCID 777433-(Methylthio)propylamine

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

생성물 1

HCID 579899002,6-Difluoro-N-{2-fluoro-3-[5-(2-{[3-(methylthio)propyl]amino}-4-pyrimidinyl)-2-(4-morpholinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide

출처 및 근거

ORD 기록: ord-6f801f79a4c34453b02d9c34ae9c45b1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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