Trifluoroacetic acid → 5-[6'-Methyl-4'-(4-trifluoromethyl-phenyl)-[2,2']bipyridinyl-6-yl]-thiophene-2-sulfonic acid amide

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[s:10][c:11](-[c:14]2[cH:15][cH:16][cH:17][c:18](-[c:20]3[n:21][c:22]([CH3:36])[cH:23][c:24](-[c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[cH:25]3)[n:19]2)[cH:12][cH:13]1.[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43]>>[NH2:5][S:6](=[O:7])(=[O:8])[c:9]1[s:10][c:11](-[c:14]2[cH:15][cH:16][cH:17][c:18](-[c:20]3[n:21][c:22]([CH3:36])[cH:23][c:24](-[c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[cH:25]3)[n:19]2)[cH:12][cH:13]1

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 247609715-[6'-Methyl-4'-(4-trifluoromethyl-phenyl)-[2,2']bipyridinyl-6-yl]-thiophene-2-sulfonic acid tert-butylamide

생성물 1

HCID 247598715-[6'-Methyl-4'-(4-trifluoromethyl-phenyl)-[2,2']bipyridinyl-6-yl]-thiophene-2-sulfonic acid amide

출처 및 근거

ORD 기록: ord-03382931501144f6980949c1a67fe07c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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