Acetone → HCID 53681943, 화합물

반응식

[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[CH:6]1[CH2:7][CH2:8][CH:9]([CH:12]=[CH:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([CH:20]=[O:21])[cH:22][cH:23]2)[CH2:10][CH2:11]1.[CH3:25][C:26](=[O:27])[CH3:28].[OH2:24]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[CH:6]1[CH2:7][CH2:8][CH:9]([CH:12]=[CH:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([C:20](=[O:21])[OH:24])[cH:22][cH:23]2)[CH2:10][CH2:11]1

참가 물질

반응물 3

HCID 180Acetone

HCID 962Water

HCID 53933401HCID 53933401, 화합물

생성물 1

HCID 53681943HCID 53681943, 화합물

출처 및 근거

ORD 기록: ord-ae6a8eacab274c9dafae1debc89ee03d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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