1-Fluoro-4-(methylsulphonyl)benzene → 2-Hydroxymethyl-4-(4-methanesulfonyl-phenoxy)-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester

HRID 211945

반응식

HRID 211945 반응식
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[c:33]1[cH:34][c:35]2[c:36]([c:43]([OH:45])[cH:44]1)[CH2:37][C:38]([CH3:40])([CH2:41][OH:42])[O:39]2.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:7][c:16]2[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[CH3:25])[cH:20][cH:21]2)[cH:8][c:9]2[c:14]1[CH2:13][CH:11]([CH3:12])[O:10]2)=[O:15].[CH3:46][S:47]([c:48]1[cH:49][cH:50][c:51]([F:52])[cH:53][cH:54]1)(=[O:55])=[O:56]>>[c:16]1([O:45][c:43]2[c:36]3[c:35]([cH:34][c:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[cH:44]2)[O:39][C:38]([CH3:40])([CH2:41][OH:42])[CH2:37]3)[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[CH3:25])[cH:20][cH:21]1

참가 물질

4

반응물 3

HCID 679941-Fluoro-4-(methylsulphonyl)benzeneHCID 595599054-Hydroxy-2-hydroxymethyl-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl esterHCID 595604376-(4-Methanesulfonyl-phenoxy)-2-methyl-2,3-dihydro-benzofuran-4-carboxylic acid methyl ester

생성물 1

HCID 595598582-Hydroxymethyl-4-(4-methanesulfonyl-phenoxy)-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-40afd6de23644fbf8b625937cfbaeccf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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