4-(3-Fluoro-benzyl)-5-oxo-7-piperazin-1-yl-4,5-dihydro-thieno[3,2-b]pyridine-6-carboxylic acid ethyl ester → HCID 59740501, 화합물
반응식
[CH2:26]([O:27][C:28]([c:29]1[c:30](=[O:31])[n:32]([CH2:33][c:34]2[cH:35][cH:36][cH:37][c:38]([F:39])[cH:40]2)[c:41]2[cH:42][cH:43][s:44][c:45]2[c:46]1[N:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1)=[O:47])[CH3:48].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[c:7]1[c:8]([Cl:25])[c:9]2[c:10]([n:11]([CH2:14][c:15]3[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]3)[c:12]1=[O:13])[cH:22][cH:23][s:24]2>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[c:7]1[c:8]([N:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[c:9]2[c:10]([n:11]([CH2:14][c:15]3[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]3)[c:12]1=[O:13])[cH:22][cH:23][s:24]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-bb5904a43e2742f68188e68494caa98e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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