Toluene → Tert-butyl 3-[(5-chloro-2-methylphenyl)-hydroxymethyl]piperidine-1-carboxylate

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 8028Tetrahydrofuran

HCID 67365613Tert-butyl 3-(5-chloro-2-methylbenzoyl)piperidine-1-carboxylate

생성물 1

HCID 67365126Tert-butyl 3-[(5-chloro-2-methylphenyl)-hydroxymethyl]piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-8c48a267662443a7910add104eea04c5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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