1,4-Dioxane → {2-[5-Chloro-4-(4-cyclopropylcarbamoyl-benzo[b]thiophen-2-yl)-pyrimidin-2-ylamino]-ethyl}-methylcarbamic acid tert-butyl ester
반응식
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29]([N:30]([CH3:31])[CH2:32][CH2:33][NH2:34])=[O:35].[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][c:11]3[s:12][c:13](-[c:16]4[n:17][c:18]([Cl:23])[n:19][cH:20][c:21]4[Cl:22])[cH:14][c:15]23)[CH2:2][CH2:3]1.[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44]>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][c:11]3[s:12][c:13](-[c:16]4[n:17][c:18]([NH:34][CH2:33][CH2:32][N:30]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:35])[CH3:31])[n:19][cH:20][c:21]4[Cl:22])[cH:14][c:15]23)[CH2:2][CH2:3]1참가 물질
5
반응물 4
생성물 1
출처 및 근거
- ORD 기록
- ord-f09d32fb506046db9767906ed49c14fb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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