Methyl Ethyl Ketone → 5-[(Carbethoxymethyl)carbamoyloxy]-1,3-benzoxathiol-2-one

HRID 207379

반응식

HRID 207379 반응식
[CH2:28]([C:29]([CH3:30])=[O:31])[CH3:32].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[N:12](=[C:13]=[O:14])[CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](=[O:10])[o:9]2)[cH:11]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](=[O:10])[o:9]2)[cH:11]1)[C:13]([NH:12][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])=[O:14]

참가 물질

5

출처 및 근거

ORD 기록
ord-d4b93bc4773d4a3a917914b191f402ad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…