HCID 67356276, 화합물 → HCID 67356531, 화합물

반응식

[Cl:34][c:35]1[cH:36][cH:37][cH:38][c:39]2[c:40]1[C:41]([OH:42])([c:43]1[c:44]([OH:45])[cH:46][c:47]3[c:51]([cH:52]1)[CH2:50][CH2:49][O:48]3)[C:53](=[O:54])[N:55]2[CH:56]([c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[OH:1][C:2]1([c:23]2[cH:24][c:25]3[c:26]([cH:31][c:32]2[OH:33])[O:27][CH2:28][CH2:29][O:30]3)[C:3](=[O:22])[N:4]([CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH3:21])[c:5]2[c:6]([O:13][CH3:14])[cH:7][cH:8][c:9]([O:11][CH3:12])[c:10]21>>[CH:2]1([c:23]2[cH:24][c:25]3[c:26]([cH:31][c:32]2[OH:33])[O:27][CH2:28][CH2:29][O:30]3)[C:3](=[O:22])[N:4]([CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH3:21])[c:5]2[c:6]([O:13][CH3:14])[cH:7][cH:8][c:9]([O:11][CH3:12])[c:10]21

참가 물질

반응물 2

HCID 67356276HCID 67356276, 화합물

HCID 673567944-chloro-1-(diphenylmethyl)-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydro-2H-indol-2-one

생성물 1

HCID 67356531HCID 67356531, 화합물

출처 및 근거

ORD 기록: ord-cfb5e24d99444feab9ee8007f9941625
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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