tert-Butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydrobenzofuran-6-carboxylate → 4-[4-(Azetidine-1-carbonyl)-3-fluoro-phenoxy]-2-hydroxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester

HRID 295094

반응식

HRID 295094 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:42]([OH:44])[cH:43]1)[CH2:37][CH:38]([CH2:40][OH:41])[O:39]2.[CH3:1][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)[cH:18][c:19]2[c:24]1[CH2:23][CH:21]([CH3:22])[O:20]2)=[O:25].[N:45]1([C:49](=[O:50])[c:51]2[c:52]([F:58])[cH:53][c:54]([F:57])[cH:55][cH:56]2)[CH2:46][CH2:47][CH2:48]1>>[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:42]([O:44][c:54]3[cH:53][c:52]([F:58])[c:51]([C:49]([N:45]4[CH2:46][CH2:47][CH2:48]4)=[O:50])[cH:56][cH:55]3)[cH:43]1)[CH2:37][CH:38]([CH2:40][OH:41])[O:39]2

참가 물질

4

반응물 3

HCID 25067321tert-Butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydrobenzofuran-6-carboxylateHCID 59560289Azetidin-1-yl-(2,4-difluorophenyl)methanoneHCID 595604376-(4-Methanesulfonyl-phenoxy)-2-methyl-2,3-dihydro-benzofuran-4-carboxylic acid methyl ester

생성물 1

HCID 595599294-[4-(Azetidine-1-carbonyl)-3-fluoro-phenoxy]-2-hydroxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-773531842f984c3889ecd0f2d2533968
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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