p-Toluenesulfonic acid → HCID 89176281, 화합물

반응식

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

참가 물질

반응물 3

HCID 6101p-Toluenesulfonic acid

HCID 128893,5-Bis(trifluoromethyl)benzoic acid

HCID 178452091HCID 178452091, 화합물

생성물 1

HCID 89176281HCID 89176281, 화합물

출처 및 근거

ORD 기록: ord-287a19580df44d119e2a3a6dc27c7de2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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