Ammonium → 2-{[2-({1-[3-(dimethylamino)propanoyl]-6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
반응식
[CH3:1][N:2]([CH2:3][CH2:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH2:10][c:11]2[cH:12][c:13]([O:39][CH3:40])[c:14]([NH:17][c:18]3[n:19][c:20]([NH:27][c:28]4[c:29]([C:30](=[O:31])[NH:32][CH3:33])[c:34]([F:38])[cH:35][cH:36][cH:37]4)[c:21]4[cH:26][cH:25][n:24][c:22]-4[nH:23]3)[cH:15][c:16]21)[CH3:41].[CH3:75][N:76]([CH3:77])[CH2:78][CH2:79][C:80]([N:81]1[c:82]2[c:83]([cH:84][c:85]([O:86][CH3:87])[c:88]([NH2:89])[cH:90]2)[CH2:91][CH2:92][CH2:93]1)=[O:94].[Cl:42][c:43]1[n:44][c:45]([NH:46][c:47]2[cH:48][cH:49][cH:50][c:51]([F:52])[c:53]2[C:54]([NH2:55])=[O:56])[c:57]2[cH:58][cH:59][n:60]([S:61]([c:62]3[cH:63][cH:64][c:65]([CH3:66])[cH:67][cH:68]3)(=[O:69])=[O:70])[c:71]2[n:72]1.[NH4+:73].[OH-:74]>>[CH3:1][N:2]([CH2:3][CH2:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH2:10][c:11]2[cH:12][c:13]([O:39][CH3:40])[c:14]([NH:17][c:18]3[n:19][c:20]([NH:27][c:28]4[c:29]([C:30](=[O:31])[NH2:32])[c:34]([F:38])[cH:35][cH:36][cH:37]4)[c:21]4[cH:26][cH:25][n:24][c:22]-4[nH:23]3)[cH:15][c:16]21)[CH3:41]참가 물질
6
반응물 5
생성물 1
출처 및 근거
- ORD 기록
- ord-8a38004f61a245d28dc2230f020e646d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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