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Methyl iodide → 4-(4-Dimethylcarbamoyl-3-fluoro-phenoxy)-2-methoxymethyl-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester

HRID 674759
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HRID 674759 반응식
[C:1]([O:2][C:3]([c:4]1[cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([S:12]([CH3:13])(=[O:14])=[O:15])[cH:16][cH:17]2)[c:18]2[c:25]([cH:26]1)[O:24][CH:20]([CH2:21][O:22][CH3:23])[CH2:19]2)=[O:27])([CH3:28])([CH3:29])[CH3:30].[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36](=[O:37])[c:38]1[cH:39][c:40]2[c:41]([c:48]([O:50][c:51]3[cH:52][c:53]([F:62])[c:54]([C:57]([N:58]([CH3:59])[CH3:60])=[O:61])[cH:55][cH:56]3)[cH:49]1)[CH2:42][C:43]([CH3:45])([CH2:46][OH:47])[O:44]2.[CH3:63][I:64]>>[CH3:1][O:47][CH2:46][C:43]1([CH3:45])[CH2:42][c:41]2[c:40]([cH:39][c:38]([C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37])[cH:49][c:48]2[O:50][c:51]2[cH:52][c:53]([F:62])[c:54]([C:57]([N:58]([CH3:59])[CH3:60])=[O:61])[cH:55][cH:56]2)[O:44]1
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참가 물질

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반응물 3

HCID 6328Methyl iodideHCID 595599404-(4-Methanesulfonyl-phenoxy)-2-methoxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl esterHCID 595601644-(4-Dimethylcarbamoyl-3-fluoro-phenoxy)-2-hydroxymethyl-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester

생성물 1

HCID 595602884-(4-Dimethylcarbamoyl-3-fluoro-phenoxy)-2-methoxymethyl-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-26e3e423f61c480796aa61abea9b2c9c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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