Ethanol → Tert-butyl 3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenylphenyl)hexanoate

반응식

[CH3:1][C:2]([CH:3]([C:4](=[O:5])[NH:6][CH:7]([CH3:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][C:16](=[O:17])[CH:18]([CH2:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27][CH:28]=[CH:29][c:30]1[cH:31][c:32]([CH3:42])[c:33](-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:34][cH:35]1)([CH3:43])[CH3:44].[CH3:45][CH2:46][OH:47]>>[CH3:1][C:2]([CH:3]([C:4](=[O:5])[NH:6][CH:7]([CH3:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][C:16](=[O:17])[CH:18]([CH2:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27][CH2:28][CH2:29][c:30]1[cH:31][c:32]([CH3:42])[c:33](-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:34][cH:35]1)([CH3:43])[CH3:44]

참가 물질

반응물 2

HCID 702Ethanol

HCID 178424947HCID 178424947, 화합물

생성물 1

HCID 22950121Tert-butyl 3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenylphenyl)hexanoate

출처 및 근거

ORD 기록: ord-8fd1458f2b7e470a96d484dfbed1b61c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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