2-[6-(aminocarbonyl)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl methanesulfonate → 2-(6-Cyano-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl methanesulfonate
반응식
[CH3:16][S:17](=[O:18])(=[O:19])[O:20][CH2:21][CH2:22][CH:23]1[O:24][CH2:25][CH2:26][c:27]2[c:28]1[cH:29][cH:30][c:31]([C:33](=[O:34])[NH2:35])[cH:32]2.[OH:1][CH2:2][CH2:3][CH:4]1[c:5]2[cH:6][cH:7][c:8]([C:9]#[N:10])[cH:11][c:12]2[CH2:13][CH2:14][O:15]1>>[CH3:16][S:17](=[O:18])(=[O:19])[O:20][CH2:21][CH2:22][CH:23]1[O:24][CH2:25][CH2:26][c:27]2[c:28]1[cH:29][cH:30][c:31]([C:33]#[N:35])[cH:32]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-7a8a3d69cfcb4c14a5c9365c850a6b74
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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