2-(Trifluoromethyl)benzenepropanoic acid → tert-butyl 1'-(3-(2-(trifluoromethyl)phenyl)propanoyl)-1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate

반응식

[F:1][C:2]([c:3]1[c:4]([CH2:9][CH2:10][C:11](=[O:12])[OH:13])[cH:5][cH:6][cH:7][cH:8]1)([F:14])[F:15].[NH:16]1[CH2:17][CH2:18][C:19]2([CH2:20][N:21]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]32)[CH2:36][CH2:37]1>>[F:1][C:2]([c:3]1[c:4]([CH2:9][CH2:10][C:11](=[O:13])[N:16]2[CH2:17][CH2:18][C:19]3([CH2:20][N:21]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][c:28]43)[CH2:36][CH2:37]2)[cH:5][cH:6][cH:7][cH:8]1)([F:14])[F:15]

참가 물질

반응물 2

HCID 152848092-(Trifluoromethyl)benzenepropanoic acid

HCID 49760902tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate

생성물 1

HCID 58295813tert-butyl 1'-(3-(2-(trifluoromethyl)phenyl)propanoyl)-1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate

출처 및 근거

ORD 기록: ord-703867847ad04ca180c98d8eae304bca
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…