6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one → 6-{2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}-2H-1,4-benzoxazin-3(4H)-one
반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH:7]([CH3:26])[CH2:6]2.[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:45]2)[NH:40][C:41](=[O:44])[CH2:42][O:43]3)[O:46]1>>[c:2]1(-[c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:45]2)[NH:40][C:41](=[O:44])[CH2:42][O:43]3)[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH:7]([CH3:26])[CH2:6]2참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-118d224feb00480faace501a214574c4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)