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Water → 3-(5-(3,5-Dichlorophenyl)-4,5-dihydro-5-trifluoromethyl-3-isoxazolyl)nitrobenzene

HRID 212130
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인쇄 미리보기

반응식

HRID 212130 반응식
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:13][N:14]1[C:15](=[O:16])[CH2:17][CH2:18][C:19]1=[O:20].[Cl:21][c:22]1[cH:23][c:24]([Cl:34])[cH:25][c:26]([C:28](=[CH2:29])[C:30]([F:31])([F:32])[F:33])[cH:27]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[N:8][OH:9])[cH:10][cH:11][cH:12]1.[OH2:53]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:7]2=[N:8][O:9][C:28]([c:26]3[cH:25][c:24]([Cl:34])[cH:23][c:22]([Cl:21])[cH:27]3)([C:30]([F:31])([F:32])[F:33])[CH2:29]2)[cH:10][cH:11][cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 31398ChlorosuccinimideHCID 2191323-NitrobenzaldoximeHCID 231598231,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene

생성물 1

HCID 593556103-(5-(3,5-Dichlorophenyl)-4,5-dihydro-5-trifluoromethyl-3-isoxazolyl)nitrobenzene

출처 및 근거

ORD 기록
ord-13078cd9bad044ac977a15ba4844859c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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