Water → Ro 22-8515
반응식
[CH2:30]([Cl:31])[Cl:32].[Cl:5][c:6]1[cH:7][c:8]2[c:9]([cH:27][cH:28]1)[C:10]1=[C:11]([CH2:12][N+:13]([O-:22])=[C:14]2[c:15]2[c:16]([Cl:21])[cH:17][cH:18][cH:19][cH:20]2)[C:23](=[O:26])[NH:24][CH2:25]1.[OH2:29].[P:1]([Cl:2])([Cl:3])[Cl:4]>>[Cl:5][c:6]1[cH:7][c:8]2[c:9]([cH:27][cH:28]1)[C:10]1=[C:11]([CH2:12][N:13]=[C:14]2[c:15]2[c:16]([Cl:21])[cH:17][cH:18][cH:19][cH:20]2)[C:23](=[O:26])[NH:24][CH2:25]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-604c136a0c4a4b48bd3eb192fd1d4f9e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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