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Acetonitrile → Tert-butyl 5-[[2-(3-chloro-4-methylsulfonylphenyl)-2-propan-2-yloxyiminoacetyl]amino]pyrazole-1-carboxylate

HRID 1562608
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인쇄 미리보기

반응식

HRID 1562608 반응식
[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[n:28]1[n:29][cH:30][cH:31][c:32]1[NH2:33].[CH3:43][C:44]#[N:45].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[cH:3][c:4]([C:12]([C:13](=[O:14])[OH:15])=[N:16][O:17][CH:18]([CH3:19])[CH3:20])[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]>>[Cl:1][c:2]1[cH:3][c:4]([C:12]([C:13](=[O:15])[NH:33][c:32]2[n:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[n:29][cH:30][cH:31]2)=[N:16][O:17][CH:18]([CH3:19])[CH3:20])[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 67191677tert-butyl 5-amino-1H-pyrazole-1-carboxylateHCID 913568302-(3-Chloro-4-methylsulfonylphenyl)-2-propan-2-yloxyiminoacetic acid

생성물 1

HCID 91162060Tert-butyl 5-[[2-(3-chloro-4-methylsulfonylphenyl)-2-propan-2-yloxyiminoacetyl]amino]pyrazole-1-carboxylate

출처 및 근거

ORD 기록
ord-540e6bb28b184d0b9ad7a8d9f176db4b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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