Anisole → 3-Chloro-N-[1-(4-fluorophenyl)-2-(piperidin-4-ylmethoxy)-ethyl]-1H-indole-6-carboxamide

반응식

[C:9]([O:10][C:11](=[O:12])[N:16]1[CH2:17][CH2:18][CH:19]([CH2:22][O:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)[NH:33][C:34](=[O:35])[c:36]2[cH:37][cH:38][c:39]3[c:40]([Cl:45])[cH:41][nH:42][c:43]3[cH:44]2)[CH2:20][CH2:21]1)([CH3:13])([CH3:14])[CH3:15].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[NH:16]1[CH2:17][CH2:18][CH:19]([CH2:22][O:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)[NH:33][C:34](=[O:35])[c:36]2[cH:37][cH:38][c:39]3[c:40]([Cl:45])[cH:41][nH:42][c:43]3[cH:44]2)[CH2:20][CH2:21]1

참가 물질

반응물 2

HCID 7519Anisole

HCID 693079464-{2-[(3-chloro-1H-indole-6-carbonyl)amino]-2-(4-fluorophenyl)ethoxymethyl}piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 693096293-Chloro-N-[1-(4-fluorophenyl)-2-(piperidin-4-ylmethoxy)-ethyl]-1H-indole-6-carboxamide

출처 및 근거

ORD 기록: ord-699469dc0c5c46a5a1dc8b99c4a96138
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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