Ethanol → 4-[2-carbamoyl-1-(3-fluoro-benzyl)-1H-indol-4-yl]-piperidine-1-carboxylic acid tert-butyl ester

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[c:15]3[cH:16][c:17]([C:31]([NH2:32])=[O:33])[n:18]([CH2:23][c:24]4[cH:25][c:26]([F:30])[cH:27][cH:28][cH:29]4)[c:19]3[cH:20][cH:21][cH:22]2)=[CH:12][CH2:13]1.[CH3:34][CH2:35][OH:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[c:15]3[cH:16][c:17]([C:31]([NH2:32])=[O:33])[n:18]([CH2:23][c:24]4[cH:25][c:26]([F:30])[cH:27][cH:28][cH:29]4)[c:19]3[cH:20][cH:21][cH:22]2)[CH2:12][CH2:13]1

참가 물질

반응물 2

HCID 702Ethanol

HCID 685845934-[2-Carbamoyl-1-(3-fluoro-benzyl)-1H-indol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 685859844-[2-carbamoyl-1-(3-fluoro-benzyl)-1H-indol-4-yl]-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-033b627a28a54d308589dc8a2584d143
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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