1-(diphenylmethyl)-3-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-dihydro-2H-indol-2-one → 1-(diphenylmethyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-dihydro-2H-indol-2-one

반응식

[CH:1]1([CH2:2][CH2:3][N:4]2[c:5]3[c:6]([cH:7][cH:8][cH:9][cH:10]3)[C:11]([OH:12])([c:13]3[c:14]([OH:15])[cH:16][c:17]4[c:21]([cH:22]3)[O:20][CH2:19][O:18]4)[C:23]2=[O:24])[CH2:25][CH2:26]1.[c:27]1([CH:33]([N:34]2[C:35](=[O:55])[C:36]([c:44]3[cH:45][c:46]4[c:47]([cH:51][c:52]3[OH:53])[O:48][CH2:49][O:50]4)([OH:54])[c:37]3[cH:38][c:39]([CH3:43])[cH:40][cH:41][c:42]32)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[c:27]1([CH:33]([N:34]2[C:35](=[O:55])[CH:36]([c:44]3[cH:45][c:46]4[c:47]([cH:51][c:52]3[OH:53])[O:48][CH2:49][O:50]4)[c:37]3[cH:38][c:39]([CH3:43])[cH:40][cH:41][c:42]32)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1

참가 물질

반응물 2

HCID 588725111-(diphenylmethyl)-3-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-dihydro-2H-indol-2-one

HCID 588725381-(2-cyclopropylethyl)-3-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydro-2H-indol-2-one

생성물 1

HCID 120042731-(diphenylmethyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-dihydro-2H-indol-2-one

출처 및 근거

ORD 기록: ord-712a1e8f18da4722a7a0ea3a3f6b5821
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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