3-(5-fluoro-2-hydroxyphenyl)-3-(hydroxymethyl)-1-pentyl-1,3-dihydro-2H-indol-2-one → 5-fluoro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one

반응식

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

참가 물질

반응물 2

HCID 120043053-(5-fluoro-2-hydroxyphenyl)-3-(hydroxymethyl)-1-pentyl-1,3-dihydro-2H-indol-2-one

HCID 666425671-(2-cyclopropylethyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-1,3-dihydro-2H-indol-2-one

생성물 1

HCID 592633515-fluoro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one

출처 및 근거

ORD 기록: ord-c8e1543d2f0f4059aacc3c2f9f9614fc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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