Water → 1-(5-Chloro-1-hydroxynaphthalen-2-yl)-1-dodecanone

반응식

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

참가 물질

반응물 3

HCID 962Water

HCID 3893Lauric Acid

HCID 123363935-Chloronaphthalen-1-ol

생성물 1

HCID 213252361-(5-Chloro-1-hydroxynaphthalen-2-yl)-1-dodecanone

출처 및 근거

ORD 기록: ord-88a946e08712401688b396c5c3dd1fea
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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