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

HRID 193799

반응식

HRID 193799 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][cH:28][c:29]([Br: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][cH:28][c:29]([Br: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: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

4

반응물 3

HCID 6101p-Toluenesulfonic acidHCID 128893,5-Bis(trifluoromethyl)benzoic acidHCID 178452089HCID 178452089, 화합물

생성물 1

HCID 89176280Tert-butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-bromophenyl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-d53448315c234a02be11a4c9f08d65a9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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