Toluene → Methyl 4-methyl-3-(4-phenylpyrimidin-2-ylamino)benzoate

HRID 214587

반응식

HRID 214587 반응식
[Br:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23][c:24]1[CH3:25].[C:26](=[O:27])([O-:28])[O-:29].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cs+:30].[Cs+:31].[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Pd:39].[Pd:40].[c:1]1(-[c:7]2[n:8][c:9]([NH2:13])[n:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([NH:13][c:15]3[cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23][c:24]3[CH3:25])[n:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

8

출처 및 근거

ORD 기록
ord-a18f1df1db8e4992ad8da0d8e58a8c33
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…