Benzene → 3-[1-[2-(tert-Butyldiphenylsiloxy)ethyl]cyclohexyl]propionitrile
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][C:9]1([CH2:15][CH2:16][OH:17])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH2:36]([P:37]([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[CH3:30][C:31]([C:32]#[N:33])([CH3:34])[OH:35].[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][C:9]1([CH2:15][CH2:16][C:32]#[N:33])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-9766e4030ca4470587d8d4e88971e680
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)