Dichloromethane → 3-(4-{4-[3-(2,2,2-Trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-6-trifluoromethyl-pyrimidin-2-yl}-pyridin-2-yl)-benzenesulfonamide

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[n:16][cH:17][cH:18][c:19](-[c:21]3[n:22][c:23]([C:43]([F:44])([F:45])[F:46])[cH:24][c:25](-[c:27]4[cH:28][c:29]([O:37][CH2:38][C:39]([F:40])([F:41])[F:42])[c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]4)[n:26]3)[cH:20]2)[cH:12][cH:13][cH:14]1.[Cl:54][CH2:55][Cl:56].[F:47][C:48]([F:49])([F:50])[C:51]([OH:52])=[O:53]>>[NH2:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[n:16][cH:17][cH:18][c:19](-[c:21]3[n:22][c:23]([C:43]([F:44])([F:45])[F:46])[cH:24][c:25](-[c:27]4[cH:28][c:29]([O:37][CH2:38][C:39]([F:40])([F:41])[F:42])[c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]4)[n:26]3)[cH:20]2)[cH:12][cH:13][cH:14]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 60209495HCID 60209495, 화합물

생성물 1

HCID 602094943-(4-{4-[3-(2,2,2-Trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-6-trifluoromethyl-pyrimidin-2-yl}-pyridin-2-yl)-benzenesulfonamide

출처 및 근거

ORD 기록: ord-ddbf1aea14a146799e1da85c8145e2bd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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