Ethyl bromoacetate → Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester

반응식

[Br:47][CH2:48][C:49]([O:50][CH2:51][CH3:52])=[O:53].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([C:13]2=[N:17][CH:29]([c:30]3[cH:31][cH:32][c:33]([Cl:34])[cH:35][cH:36]3)[CH:21]([c:22]3[cH:23][cH:24][c:25]([Cl:26])[cH:27][cH:28]3)[N:14]2[C:15](=[O:16])[CH:18]([CH3:19])[CH3:20])[cH:11][cH:12]1)=[O:37].[OH:38][c:39]1[cH:40][cH:41][c:42]([C:43]#[N:44])[cH:45][cH:46]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([C:13]#[N:17])[cH:11][cH:12]1)=[O:37]

참가 물질

반응물 3

HCID 7748Ethyl bromoacetate

HCID 130194-Cyanophenol

HCID 66979134{4-[4,5-Bis-(4-chloro-phenyl)-1-isobutyryl-4,5-dihydro-1H-imidazol-2-yl]-phenoxy}-acetic acid ethyl ester

생성물 1

HCID 207426Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester

출처 및 근거

ORD 기록: ord-cddfcc708f7a443fa8509a78717ec41b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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