Trifluoroacetic acid → 4'-(5-Acetyl-4-chloro-2-phenylimidazol-1-ylmethyl)biphenyl-2-sulfonamide

반응식

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

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 7519Anisole

HCID 177754854'-(5-Acetyl-4-chloro-2-phenylimidazol-1-ylmethyl)biphenyl-2-sulfonic acid tert-butylamide

생성물 1

HCID 184000894'-(5-Acetyl-4-chloro-2-phenylimidazol-1-ylmethyl)biphenyl-2-sulfonamide

출처 및 근거

ORD 기록: ord-9e09409327fa4b22af643b9a05d919dd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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