Water → (3-Bromophenyl)acetonitrile
반응식
[Br:1][c:2]1[cH:3][c:4]([CH2:8][C:9](=[O:10])[NH2:11])[cH:5][cH:6][cH:7]1.[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[F:19][C:20]([F:21])([F:22])[C:23]([O:24][C:25](=[O:26])[C:27]([F:28])([F:29])[F:30])=[O:31].[OH2:32]>>[Br:1][c:2]1[cH:3][c:4]([CH2:8][C:9]#[N:11])[cH:5][cH:6][cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-d8bf24de28914e17915aef51adee1f7b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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