Dimethylformamide → 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(2-dimethylamino-ethyl)-3-trifluoromethyl-benzamide
반응식
[CH3:52][N:53]([C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]1[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[N+:65]([O-:66])=[N:67]1)[CH3:68].[CH3:78][N:79]([CH2:80][CH2:81][NH2:82])[CH3:83].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:69]([N:70]([CH:71]([CH3:72])[CH3:73])[CH2:74][CH3:75])([CH3:76])[CH3:77].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1.[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:26](=[O:28])[NH:82][CH2:81][CH2:80][N:79]([CH3:78])[CH3:83])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-dbc09c752d6a492983514aa16140ae3c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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