Isopropanol → HCID 59362947, 화합물

반응식

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

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 15086389Methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate

HCID 59362936HCID 59362936, 화합물

생성물 1

HCID 59362947HCID 59362947, 화합물

출처 및 근거

ORD 기록: ord-17da46e3a3a64d54800fe36de9d44caa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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