3-(1-Piperazinyl)-1,2-benzisothiazole → 6-Acetyl-3-(2-(4-(1,2-benzisothiazol-3-yl)piperazin-1-yl)ethyl)-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine
반응식
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:14][CH2:15][Cl:16])[c:11]([CH3:13])[s:12]2)[CH2:8][CH2:9]1.[s:17]1[n:18][c:19]([N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[c:20]2[c:21]1[cH:22][cH:23][cH:24][cH:25]2>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:14][CH2:15][N:29]3[CH2:28][CH2:27][N:26]([c:19]4[n:18][s:17][c:21]5[c:20]4[cH:25][cH:24][cH:23][cH:22]5)[CH2:31][CH2:30]3)[c:11]([CH3:13])[s:12]2)[CH2:8][CH2:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-d0ad663daba94b45b80f395a9765e032
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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