3-(5-bromo-2-hydroxyphenyl)-1-(diphenylmethyl)-3-(hydroxymethyl)-1,3-dihydro-2H-indol-2-one → 5-bromo-1'-(diphenylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]([OH:33])[c:6]([C:8]2([CH2:31][OH:32])[C:9](=[O:30])[N:10]([CH:17]([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[cH:7]1.[CH:34]1([CH2:35][CH2:36][N:37]2[c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[C:44]([c:45]3[c:46]([OH:47])[cH:48][c:49]4[c:53]([cH:54]3)[O:52][CH2:51][O:50]4)([CH2:55][OH:56])[C:57]2=[O:58])[CH2:59][CH2:60]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7]1)[C:8]1([C:9](=[O:30])[N:10]([CH:17]([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]31)[CH2:31][O:32]2

참가 물질

반응물 2

HCID 588724633-(5-bromo-2-hydroxyphenyl)-1-(diphenylmethyl)-3-(hydroxymethyl)-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 119996385-bromo-1'-(diphenylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one

출처 및 근거

ORD 기록: ord-4aadf70f517a4d47aa9229ea9519b9da
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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