1,1-dioxo-3,4-dihydro-2H-1lambda6-benzothiopyran-4-carboxylic acid → N-[(4-dimethylaminophenyl) methyl]-N-(4-isopropylphenyl)-1,1-dioxothiochroman-4-carboxamide
반응식
[CH3:16][N:17]([c:18]1[cH:19][cH:20][c:21]([CH2:24][NH:25][c:26]2[cH:27][cH:28][c:29]([CH:32]([CH3:33])[CH3:34])[cH:30][cH:31]2)[cH:22][cH:23]1)[CH3:35].[O:1]=[S:2]1(=[O:15])[CH2:3][CH2:4][CH:5]([C:12](=[O:13])[OH:14])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21>>[O:1]=[S:2]1(=[O:15])[CH2:3][CH2:4][CH:5]([C:12](=[O:14])[N:25]([CH2:24][c:21]2[cH:20][cH:19][c:18]([N:17]([CH3:16])[CH3:35])[cH:23][cH:22]2)[c:26]2[cH:27][cH:28][c:29]([CH:32]([CH3:33])[CH3:34])[cH:30][cH:31]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21참가 물질
3
출처 및 근거
- ORD 기록
- ord-38a4a82025a7498d8ec3a93b1cb6ea91
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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