Acetate → 5-Oxo-4-pyridine-3-yl-7-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-4,5-dihydro-2-thia-4-aza-indene-6-carbonitrile
반응식
[C:47]([O-:48])(=[O:49])[CH3:50].[C:52]([O-:53])(=[O:54])[CH3:55].[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[Cu+2:51].[O:17]=[c:18]1[nH:19][c:20]2[cH:21][s:22][cH:23][c:24]2[c:25]([N:29]2[CH2:30][CH2:31][N:32]([C:35](=[O:36])[c:37]3[s:38][cH:39][cH:40][cH:41]3)[CH2:33][CH2:34]2)[c:26]1[C:27]#[N:28].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[n:1]1[cH:2][c:3]([B:7]([OH:8])[OH:9])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3](-[n:19]2[c:18](=[O:17])[c:26]([C:27]#[N:28])[c:25]([N:29]3[CH2:30][CH2:31][N:32]([C:35](=[O:36])[c:37]4[s:38][cH:39][cH:40][cH:41]4)[CH2:33][CH2:34]3)[c:24]3[c:20]2[cH:21][s:22][cH:23]3)[cH:4][cH:5][cH:6]1참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-e8c23b6d90b74caa9d7f70618c7f95ab
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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