1-Butanol → [4-(1-Butoxy-1-oxopropan-2-yl)oxyphenyl] 4-(3-chloro-4-octoxyphenyl)benzoate

반응식

[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[Cl:1][c:2]1[cH:3][c:4](-[c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[Cl:23])[cH:24][cH:25]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16].[OH:26][c:27]1[cH:28][cH:29][c:30]([O:31][CH:32]([C:33](=[O:34])[O:35][CH2:36][CH2:37][CH2:38][CH3:39])[CH3:40])[cH:41][cH:42]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[O:26][c:27]3[cH:28][cH:29][c:30]([O:31][CH:32]([C:33](=[O:34])[O:35][CH2:36][CH2:37][CH2:38][CH3:39])[CH3:40])[cH:41][cH:42]3)[cH:24][cH:25]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16]

참가 물질

반응물 3

HCID 2631-Butanol

HCID 12919928Butyl 2-(4-hydroxyphenoxy)propanoate

HCID 190242254-(3-Chloro-4-octoxyphenyl)benzoyl chloride

생성물 1

HCID 57241376[4-(1-Butoxy-1-oxopropan-2-yl)oxyphenyl] 4-(3-chloro-4-octoxyphenyl)benzoate

출처 및 근거

ORD 기록: ord-072c19a77fb64968bfc51f0b3617ff2d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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