4-bromo-3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-pentyl-1,3-dihydro-2H-indol-2-one → methyl 4-{[3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-indol-1-yl]methyl}benzoate

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:37]2[C:38](=[O:57])[N:39]([CH2:46][c:47]3[cH:48][cH:49][c:50]([C:51](=[O:52])[O:53][CH3:54])[cH:55][cH:56]3)[c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]32)[cH:30][c:31]2[c:32]([cH:36]1)[O:33][CH2:34][O:35]2>>[CH2:5]([OH:16])[C:37]1([c:29]2[c:28]([OH:27])[cH:36][c:32]3[c:31]([cH:30]2)[O:35][CH2:34][O:33]3)[C:38](=[O:57])[N:39]([CH2:46][c:47]2[cH:48][cH:49][c:50]([C:51](=[O:52])[O:53][CH3:54])[cH:55][cH:56]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]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 58872527methyl 4-{[3-(6-hydroxy-1,3-benzodioxol-5-yl)-2-oxo-2,3-dihydro-1H-indol-1-yl]methyl}benzoate

생성물 1

HCID 58872501methyl 4-{[3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-indol-1-yl]methyl}benzoate

출처 및 근거

ORD 기록: ord-c7dde49b43354d4ea96c006a8f591848
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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