Isopropanol → 1-[N-benzyl-N-[2-(5-carbamoyl-2-pyridyloxy)-1,1-dimethyl-ethyl]-amino]-3-(2-methyl-phenoxy)-2-propanol

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9]([CH2:10][O:11][c:12]1[n:13][cH:14][c:15]([C:16](=[O:17])[NH2:18])[cH:19][cH:20]1)([CH3:21])[CH3:22].[CH3:23][c:24]1[c:25]([O:26][CH2:27][CH:28]2[CH2:29][O:30]2)[cH:31][cH:32][cH:33][cH:34]1.[CH:35]([OH:36])([CH3:37])[CH3:38]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH2:10][O:11][c:12]1[n:13][cH:14][c:15]([C:16](=[O:17])[NH2:18])[cH:19][cH:20]1)([CH3:21])[CH3:22])[CH2:29][CH:28]([CH2:27][O:26][c:25]1[c:24]([CH3:23])[cH:34][cH:33][cH:32][cH:31]1)[OH:30]

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 16640o-CRESYL GLYCIDYL ETHER

HCID 539610346-(2-Benzylamino-2,2-dimethylethoxy)-nicotinic acid amide

생성물 1

HCID 213332331-[N-benzyl-N-[2-(5-carbamoyl-2-pyridyloxy)-1,1-dimethyl-ethyl]-amino]-3-(2-methyl-phenoxy)-2-propanol

출처 및 근거

ORD 기록: ord-f092936d53e54c84acf14d7a38c8f765
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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