1,4-Dioxane → {2-[4-(4-chlorophenyl)piperazin-1-yl]-5,5-dioxo-6,7-dihydro-5H-5lambda6-thieno[3,2-d]pyrimidin-4-yl}propylamine
반응식
[Cl:17][c:18]1[cH:19][cH:20][c:21]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[cH:22][cH:23]1.[Cl:1][c:2]1[n:3][c:4]([CH2:13][CH2:14][CH2:15][NH2:16])[c:5]2[c:6]([n:7]1)[CH2:8][CH2:9][S:10]2(=[O:11])=[O:12].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1>>[c:2]1([N:27]2[CH2:26][CH2:25][N:24]([c:21]3[cH:20][cH:19][c:18]([Cl:17])[cH:23][cH:22]3)[CH2:29][CH2:28]2)[n:3][c:4]([CH2:13][CH2:14][CH2:15][NH2:16])[c:5]2[c:6]([n:7]1)[CH2:8][CH2:9][S:10]2(=[O:11])=[O:12]참가 물질
4
출처 및 근거
- ORD 기록
- ord-3edd74838265423583ebc90231be4d5b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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