Ethanol → SS-3227
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([N:15]2[CH2:16][CH2:17][CH:18]([O:21][c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[CH2:19][CH2:20]2)[cH:13][cH:14]1.[CH2:35]([OH:36])[CH3:37].[H:33][H:34]>>[OH:8][c:9]1[cH:10][cH:11][c:12]([N:15]2[CH2:16][CH2:17][CH:18]([O:21][c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[CH2:19][CH2:20]2)[cH:13][cH:14]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-5a676bcf10c4422887df14a60e4e7884
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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