Benzocaine → Ethyl 4-[3-(trimethylsilyl)propylamino]benzoate
반응식
[CH3:1][Si:2]([CH2:3][CH2:4][CH2:5][Br:6])([CH3:7])[CH3:8].[CH3:21][N:22]([P:23]([N:24]([CH3:25])[CH3:26])([N:27]([CH3:28])[CH3:29])=[O:30])[CH3:31].[CH3:9][CH2:10][O:11][C:12](=[O:13])[c:14]1[cH:15][cH:16][c:17]([NH2:18])[cH:19][cH:20]1>>[CH3:1][Si:2]([CH2:3][CH2:4][CH2:5][NH:18][c:17]1[cH:16][cH:15][c:14]([C:12]([O:11][CH2:10][CH3:9])=[O:13])[cH:20][cH:19]1)([CH3:7])[CH3:8]참가 물질
4
출처 및 근거
- ORD 기록
- ord-717e5964e9d64be89abb1401ab02b341
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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