Dichloromethane → 2-(3-Aminopiperidin-1-yl)-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one
반응식
[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:27]2[CH2:28][CH:29]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:30][CH2:31][CH2:32]2)[n:7][c:8]2[c:9]1[c:10](=[O:26])[n:11]([CH2:14][c:15]1[n:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[c:23]([CH3:25])[n:24]1)[n:12][cH:13]2.[Cl:48][CH2:49][Cl:50].[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:27]2[CH2:28][CH:29]([NH2:33])[CH2:30][CH2:31][CH2:32]2)[n:7][c:8]2[c:9]1[c:10](=[O:26])[n:11]([CH2:14][c:15]1[n:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[c:23]([CH3:25])[n:24]1)[n:12][cH:13]2참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-f20eecaf846648029d5a033ee6d9ccee
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)