N,N-Dimethylglycine → 1-[4-[4-Amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidin-1-yl]-2-dimethylamino-ethanone
반응식
[CH3:1][N:2]([CH3:3])[CH2:4][C:5](=[O:6])[OH:7].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[CH3:82][N:83]([CH3:84])[CH:85]=[O:86].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49].[NH2:50][c:51]1[n:52][c:53]([NH:68][CH:69]2[CH2:70][CH2:71][NH:72][CH2:73][CH2:74]2)[n:54][cH:55][c:56]1[C:57](=[O:58])[c:59]1[c:60]([O:66][CH3:67])[cH:61][cH:62][c:63]([F:65])[cH:64]1.[OH2:8].[OH:9][n:10]1[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[n:17][n:18]1.[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[CH3:1][N:2]([CH3:3])[CH2:4][C:5](=[O:7])[N:72]1[CH2:71][CH2:70][CH:69]([NH:68][c:53]2[n:52][c:51]([NH2:50])[c:56]([C:57](=[O:58])[c:59]3[c:60]([O:66][CH3:67])[cH:61][cH:62][c:63]([F:65])[cH:64]3)[cH:55][n:54]2)[CH2:74][CH2:73]1참가 물질
10
반응물 9
생성물 1
출처 및 근거
- ORD 기록
- ord-9996d0815d1c4c5eb498551321b840de
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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