Acetic Acid → 2-Chloro-4-fluoro-3-formylbenzonitrile
반응식
[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH:13]([N-:14][CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl:21][c:22]1[c:23]([C:24]#[N:25])[cH:26][cH:27][c:28]([F:30])[cH:29]1.[Li+:20].[O:31]1[CH2:32][CH2:35][CH2:34][CH2:33]1>>[Cl:21][c:22]1[c:23]([C:24]#[N:25])[cH:26][cH:27][c:28]([F:30])[c:29]1[CH:32]=[O:31]참가 물질
10
출처 및 근거
- ORD 기록
- ord-2d2e41ae50a546e29a884b0758d00598
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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