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Ethanol → Ethyl 2-[2-(3-cyclopropylmethoxy-4-difluoromethoxyphenyl)-2-oxoethyl]-4-(4-methoxybenzyloxy)-3-oxobutyrate

HRID 1152835
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HRID 1152835 반응식
[Br:30][CH2:31][C:32](=[O:33])[c:34]1[cH:35][c:36]([O:44][CH2:45][CH:46]2[CH2:47][CH2:48]2)[c:37]([O:40][CH:41]([F:42])[F:43])[cH:38][cH:39]1.[CH2:23]([OH:24])[CH3:25].[CH3:1][CH2:2][OH:3].[CH3:26][CH2:27][O-:28].[CH3:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][O:11][CH2:12][C:13]([CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])=[O:20])[cH:21][cH:22]1.[Na+:29].[OH2:49]>>[CH3:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][O:11][CH2:12][C:13]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:31][C:32](=[O:33])[c:34]2[cH:35][c:36]([O:44][CH2:45][CH:46]3[CH2:47][CH2:48]3)[c:37]([O:40][CH:41]([F:42])[F:43])[cH:38][cH:39]2)=[O:20])[cH:21][cH:22]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 702Ethanol2회HCID 923Sodium IonHCID 962WaterHCID 1194401-Hydroxyethyl radicalHCID 18172564Ethyl 4-(4-methoxybenzyloxy)-3-oxobutyrateHCID 866270522-Bromo-1-(3-cyclopropylmethoxy-4-difluoromethoxyphenyl)ethanone

생성물 1

HCID 66602693
Ethyl 2-[2-(3-cyclopropylmethoxy-4-difluoromethoxyphenyl)-2-oxoethyl]-4-(4-methoxybenzyloxy)-3-oxobutyrate

출처 및 근거

ORD 기록
ord-3ae68a39fe4e4064a0d08da11780525d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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