3-(4,5-dichloro-2-hydroxyphenyl)-3-(hydroxymethyl)-1-pentyl-1,3-dihydro-2H-indol-2-one → 5,6-dichloro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one

반응식

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

참가 물질

반응물 2

HCID 588725683-(4,5-dichloro-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 592633485,6-dichloro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one

출처 및 근거

ORD 기록: ord-8afc39fb0b6c4d5392364b8cfdb8e9e5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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