Isopropanol → HCID 59362913, 화합물

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[CH3:17][O:18][C:19](=[O:20])[C:21]1([c:26]2[cH:27][cH:28][c:29]([NH2:32])[cH:30][cH:31]2)[CH2:22][CH2:23][CH2:24][CH2:25]1.[CH:33]([OH:34])([CH3:35])[CH3:36].[Cl:1][c:2]1[n:3][c:4]([CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[n:5][c:6]2[c:7]1[CH2:8][CH2:9][CH2:10]2>>[c:2]1([NH:32][c:29]2[cH:28][cH:27][c:26]([C:21]3([C:19]([O:18][CH3:17])=[O:20])[CH2:22][CH2:23][CH2:24][CH2:25]3)[cH:31][cH:30]2)[n:3][c:4]([CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]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 59362951HCID 59362951, 화합물

생성물 1

HCID 59362913HCID 59362913, 화합물

출처 및 근거

ORD 기록: ord-104f919258cf4d8bb1f117049ebd1004
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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