Acetonitrile → 3-[4-(4-Tetrazol-1-yl-phenoxymethyl)-thiazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:13]2[s:14][cH:15][c:16]([CH2:18][Cl:19])[n:17]2)[CH2:11][CH2:12]1.[CH3:32][C:33]#[N:34].[n:20]1(-[c:25]2[cH:26][cH:27][c:28]([OH:31])[cH:29][cH:30]2)[n:21][n:22][n:23][cH:24]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:13]2[s:14][cH:15][c:16]([CH2:18][O:31][c:28]3[cH:27][cH:26][c:25](-[n:20]4[n:21][n:22][n:23][cH:24]4)[cH:30][cH:29]3)[n:17]2)[CH2:11][CH2:12]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-3cbe860213b64379849cb669a04e43c5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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