4-Methylmorpholine → 1-[2-(9-Chloro-5-oxo-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)-3-methylbutanoyl]azetidine-3-carbonitrile
반응식
[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:28][N:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[Cl:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:14])[OH:15])[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13.[NH:22]1[CH2:23][CH:24]([C:26]#[N:27])[CH2:25]1.[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[Cl:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:14])[N:22]2[CH2:23][CH:24]([C:26]#[N:27])[CH2:25]2)[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-7db550bcb0f2443d8edb38ee021ab9c7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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