Acetonitrile → 2-(pivaloyloxymethyl)-4-isopropyl-6-methoxy-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

HRID 171845

반응식

HRID 171845 반응식
[C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])(=[O:32])[O:33][CH2:34][Cl:35].[CH3:36][C:37]#[N:38].[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([O:16][CH3:17])[cH:7][c:8]2[c:9]1[C:10](=[O:15])[NH:11][S:12]2(=[O:13])=[O:14]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([O:16][CH3:17])[cH:7][c:8]2[c:9]1[C:10](=[O:15])[N:11]([CH2:34][O:33][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[S:12]2(=[O:13])=[O:14]

참가 물질

5

출처 및 근거

ORD 기록
ord-943fdb110c2b469abfa16535e61caead
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…