Tetrahydrofuran → 3-ethynyl-5-nitro-1-trityl-1H-indazole
반응식
[CH2:39]([NH+:40]([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[F-:38].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([C:32]#[C:33][Si:34]([CH3:35])([CH3:36])[CH3:37])[n:8][n:9]([C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:10]2[cH:11][cH:12]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([C:32]#[CH:33])[n:8][n:9]([C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:10]2[cH:11][cH:12]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-eb37fa5b44534631b8c1b4a5555a1d03
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
- DOI