Dimethylamine → 4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-[1-(2-dimethylamino-pyrimidin-4-yl)-piperidin-4-ylmethyl]-piperazin-2-one
반응식
[CH3:35][NH:36][CH3:37].[CH3:38][CH2:39][OH:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]3[CH2:14][C:15](=[O:33])[N:16]([CH2:19][CH:20]4[CH2:21][CH2:22][N:23]([c:26]5[n:27][c:28]([Cl:32])[n:29][cH:30][cH:31]5)[CH2:24][CH2:25]4)[CH2:17][CH2:18]3)[cH:9]2)[cH:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]3[CH2:14][C:15](=[O:33])[N:16]([CH2:19][CH:20]4[CH2:21][CH2:22][N:23]([c:26]5[n:27][c:28]([N:36]([CH3:35])[CH3:37])[n:29][cH:30][cH:31]5)[CH2:24][CH2:25]4)[CH2:17][CH2:18]3)[cH:9]2)[cH:34]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-5b6a2cbd62a64d7aa97079848f2cc3c6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
- DOI