Ethanol → Phenyl isocyanate
반응식
[CH3:21][CH2:22][OH:23].[CH3:24][c:25]1[c:26]([CH3:27])[cH:28][cH:29][cH:30][cH:31]1.[c:1]1([NH:7][C:8](=[O:9])[N:10]([CH2:11][CH3:12])[CH2:13][CH3:14])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:15]1[cH:16][cH:17][n:18][cH:19][cH:20]1>>[c:1]1([N:7]=[C:8]=[O:9])[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-aa2c72b880e448d089a000ced68d7583
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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