4-bromo-3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-pentyl-1,3-dihydro-2H-indol-2-one → 3-(hydroxymethyl)-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1-pentyl-1,3-dihydro-2H-indol-2-one

반응식

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

참가 물질

반응물 2

HCID 588725004-bromo-3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-pentyl-1,3-dihydro-2H-indol-2-one

HCID 588725253-[2-hydroxy-5-(trifluoromethyl)phenyl]-1-pentyl-1,3-dihydro-2H-indol-2-one

생성물 1

HCID 588724753-(hydroxymethyl)-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1-pentyl-1,3-dihydro-2H-indol-2-one

출처 및 근거

ORD 기록: ord-9ac657683268488faa3a122363aaa947
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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