Water → Ethyl 2-[7-[(1-Ethylpropyl)amino]-3-mesityl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate
반응식
[CH3:35][C:36]#[N:37].[Cl:7][c:8]1[c:9]([CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:10]([CH3:27])[n:11][c:12]2[n:13]1[n:14][c:15]([CH3:26])[c:16]2-[c:17]1[c:18]([CH3:25])[cH:19][c:20]([CH3:24])[cH:21][c:22]1[CH3:23].[NH2:1][CH:2]([CH2:3][CH3:4])[CH2:5][CH3:6].[OH2:34]>>[NH:1]([CH:2]([CH2:3][CH3:4])[CH2:5][CH3:6])[c:8]1[c:9]([CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:10]([CH3:27])[n:11][c:12]2[n:13]1[n:14][c:15]([CH3:26])[c:16]2-[c:17]1[c:18]([CH3:25])[cH:19][c:20]([CH3:24])[cH:21][c:22]1[CH3:23]참가 물질
5
출처 및 근거
- ORD 기록
- ord-5a9972c88bef4323b435caee55ea3b04
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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