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Water → Methyl 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-1-naphthalenecarboxylate

HRID 187462
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HRID 187462 반응식
[Br:40][C:41]([C:42]([F:43])([F:44])[F:45])=[CH2:46].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[Cl:26][c:27]1[cH:28][c:29]([Cl:39])[cH:30][c:31]([C:33](=[CH2:34])[C:35]([F:36])([F:37])[F:38])[cH:32]1.[F:47].[OH2:60].[OH:9][N:10]=[CH:11][c:12]1[cH:13][cH:14][c:15]([C:22](=[O:23])[O:24][CH3:25])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12>>[O:9]1[N:10]=[C:11]([c:12]2[cH:13][cH:14][c:15]([C:22](=[O:23])[O:24][CH3:25])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[CH2:34][C:33]1([c:31]1[cH:30][c:29]([Cl:39])[cH:28][c:27]([Cl:26])[cH:32]1)[C:35]([F:36])([F:37])[F:38]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 14917Hydrofluoric AcidHCID 31398ChlorosuccinimideHCID 2726961-Propene, 2-bromo-3,3,3-trifluoro-HCID 231598231,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene
HCID 86645276
Methyl 4-[(hydroxyimino)methyl]-1-naphthalenecarboxylate

생성물 1

HCID 58338637Methyl 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-1-naphthalenecarboxylate

출처 및 근거

ORD 기록
ord-c39ce10a91604130ba2581724920c68b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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