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Water → 1-[6-Benzyloxy-2-hydroxy-3-(5-methyl-7-nitroindan-4-yloxy)phenyl]ethanone

HRID 1567335
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반응식

HRID 1567335 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:37]([CH3:38])=[O:39])[c:11]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:12][cH:13][c:14]1[O:15][c:16]1[c:17]2[c:21]([c:22]([N+:26](=[O:27])[O-:28])[cH:23][c:24]1[CH3:25])[CH2:20][CH2:19][CH2:18]2.[CH3:40][S:41][CH3:42].[Cl:51][CH2:52][Cl:53].[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50].[OH2:43]>>[OH:8][c:9]1[c:10]([C:37]([CH3:38])=[O:39])[c:11]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:12][cH:13][c:14]1[O:15][c:16]1[c:17]2[c:21]([c:22]([N+:26](=[O:27])[O-:28])[cH:23][c:24]1[CH3:25])[CH2:20][CH2:19][CH2:18]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 962WaterHCID 1068Dimethyl SulfideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 211105561-[2,6-Bisbenzyloxy-3-(5-methyl-7-nitroindan-4-yloxy)phenyl]ethanone

생성물 1

HCID 211105611-[6-Benzyloxy-2-hydroxy-3-(5-methyl-7-nitroindan-4-yloxy)phenyl]ethanone

출처 및 근거

ORD 기록
ord-813571c9b8384cf0b06133a63bc0c095
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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