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Acetate → 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde O-(N-methylcarbamoyl)oxime

HRID 108951
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인쇄 미리보기

반응식

HRID 108951 반응식
[C:29]([O-:30])(=[O:31])[CH3:32].[C:33]([O-:34])(=[O:35])[CH3:36].[CH2:37]([Sn+2:38][CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH3:25][N:26]=[C:27]=[O:28].[Cl:46][CH2:47][Cl:48].[NH2:1][c:2]1[c:3]([S:22](=[O:23])[CH3:24])[c:4]([CH:19]=[N:20][OH:21])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]>>[NH2:1][c:2]1[c:3]([S:22](=[O:23])[CH3:24])[c:4]([CH:19]=[N:20][O:21][C:27]([NH:26][CH3:25])=[O:28])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]
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참가 물질

6

반응물 5

HCID 175Acetate2회HCID 6344DichloromethaneHCID 12228Methyl IsocyanateHCID 9543249(Dibutyl)stannaneHCID 1363524165-amino-1-[2,6-dichloro-4-(trifluoromethyl)-phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde oxime

생성물 1

HCID 54387530
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde O-(N-methylcarbamoyl)oxime

출처 및 근거

ORD 기록
ord-118eff574f61465b853bf5da72bd6eff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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