Toluene → N-(5-tert-butyl-isoxazol-3-yl)-2-(4-chlorobenzenesulfonyl)-4-hydroxy-2-methyl-butyramide

HRID 113984

반응식

HRID 113984 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH2:10])[n:8][o:9]1.[CH2:32]([Cl:33])[Cl:34].[CH3:11][Al:12]([CH3:13])[CH3:14].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:15][c:16]1[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[C:25]2([CH3:31])[C:26](=[O:30])[O:27][CH2:28][CH2:29]2)[cH:20][cH:21]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:26]([C:25]([S:22]([c:19]2[cH:18][cH:17][c:16]([Cl:15])[cH:21][cH:20]2)(=[O:23])=[O:24])([CH2:29][CH2:28][OH:27])[CH3:31])=[O:30])[n:8][o:9]1

참가 물질

6

반응물 5

HCID 1140TolueneHCID 6344DichloromethaneHCID 1714733-Isoxazolamine, 5-(1,1-dimethylethyl)-HCID 16682925TrimethylaluminumHCID 582805743-(4-Chloro-benzenesulfonyl)-3-methyl-dihydrofuran-2-one

생성물 1

HCID 58280577N-(5-tert-butyl-isoxazol-3-yl)-2-(4-chlorobenzenesulfonyl)-4-hydroxy-2-methyl-butyramide

출처 및 근거

ORD 기록
ord-6e423248a3ee4e99b3be2a9e87df449a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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