Dichloromethane → tert-Butyl 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3-{[(3-ethoxy-3-oxopropyl)-sulfonyl]amino}-1H-indazole-1-carboxylate
반응식
[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:30][S:31](=[O:32])(=[O:33])[CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40].[Cl:48][CH2:49][Cl:50].[NH2:1][c:2]1[n:3][n:4]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:5]2[cH:6][cH:7][c:8]([CH:11]3[C:12]([C:21]#[N:22])=[C:13]([CH3:20])[NH:14][C:15]([CH3:19])=[C:16]3[C:17]#[N:18])[cH:9][c:10]12>>[NH:1]([c:2]1[n:3][n:4]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:5]2[cH:6][cH:7][c:8]([CH:11]3[C:12]([C:21]#[N:22])=[C:13]([CH3:20])[NH:14][C:15]([CH3:19])=[C:16]3[C:17]#[N:18])[cH:9][c:10]12)[S:31](=[O:32])(=[O:33])[CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40]참가 물질
5
반응물 4
생성물 1
출처 및 근거
- ORD 기록
- ord-cdf20ce1caf44910965da70001de5111
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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