p-Toluenesulfonic acid → Tert-butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate

HRID 87573

반응식

HRID 87573 반응식
[F:34][C:35]([c:36]1[cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50].[NH2:12][CH:13]1[CH:14]([c:26]2[cH:27][c:28]([F:33])[c:29]([Cl:32])[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]([F:33])[c:29]([Cl:32])[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:39]([c:38]1[cH:37][c:36]([C:35]([F:34])([F:49])[F:50])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]1)=[O:40]

참가 물질

4

반응물 3

HCID 6101p-Toluenesulfonic acidHCID 128893,5-Bis(trifluoromethyl)benzoic acidHCID 178452092HCID 178452092, 화합물

생성물 1

HCID 89176277Tert-butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-b2cc809bdad74fb5b01c414ff7997bf9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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