Chloride → Ethyl-5-chloro-7-(2,4-dichlorophenyl)[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate
반응식
[C:44](=[O:45])([OH:46])[O-:47].[CH2:30]([N+:31]([CH2:32][CH3:33])([CH2:34][CH3:35])[CH2:36][CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl-:29].[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[n:12]([c:13]([OH:15])[n:14]2)[n:16][c:17]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[n:18]3)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:48].[P:24]([Cl:25])([Cl:26])([Cl:27])=[O:28]>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[n:12]([c:13]([Cl:26])[n:14]2)[n:16][c:17]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[n:18]3)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-75a58563a3c149fba8f913b47a1bb455
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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