1-(Chloromethyl)-4-(methylthio)benzene → tert-butyl (3RS,4RS)-3-(4-methylsulfanyl-benzyloxy)-4-[4-(2-phenethyloxy-ethoxy)-phenyl]-piperidine-1-carboxylate

HRID 139576

반응식

HRID 139576 반응식
[CH3:33][S:34][c:35]1[cH:36][cH:37][c:38]([CH2:39][Cl:40])[cH:41][cH:42]1.[OH:1][CH:2]1[CH2:3][N:4]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:5][CH2:6][CH:7]1[c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:12][cH:13]1>>[O:1]([CH:2]1[CH2:3][N:4]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:5][CH2:6][CH:7]1[c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:12][cH:13]1)[CH2:39][c:38]1[cH:37][cH:36][c:35]([S:34][CH3:33])[cH:42][cH:41]1

참가 물질

3

반응물 2

HCID 701281-(Chloromethyl)-4-(methylthio)benzeneHCID 86604483tert-butyl (3RS,4RS)-3-hydroxy-4-[4-(2-phenethyloxy-ethoxy)-phenyl]-piperidine-1-carboxylate

생성물 1

HCID 54342139tert-butyl (3RS,4RS)-3-(4-methylsulfanyl-benzyloxy)-4-[4-(2-phenethyloxy-ethoxy)-phenyl]-piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-19a4af6f240a45748b077e0257347a35
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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