HRID680177

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID45480351

5-Fluoro-6-methoxypyridin-3-amine

C6H7FN2O

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)cnc3F)n2)cc1

HCID60156087

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)cnc3Nc3cnc(OC)c(F)c3)n2)cc1

HCID66600044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffe1b23ed38b4201b9b9850e56b86ea4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:11][O:12][c:13]1[cH:14][cH:15][c:16]([CH2:17][N:18]([c:19]2[n:20][c:21](-[c:26]3[cH:27][c:28]([CH2:33][N:34]4[CH2:35][CH2:36][N:37]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[CH2:38][CH2:39]4)[cH:29][n:30][c:31]3[F:32])[n:22][c:23]([CH3:25])[n:24]2)[CH2:47][c:48]2[cH:49][cH:50][c:51]([O:54][CH3:55])[cH:52][cH:53]2)[cH:56][cH:57]1.[F:1][c:2]1[cH:3][c:4]([NH2:10])[cH:5][n:6][c:7]1[O:8][CH3:9]>>[F:1][c:2]1[cH:3][c:4]([NH:10][c:31]2[c:26](-[c:21]3[n:20][c:19]([N:18]([CH2:17][c:16]4[cH:15][cH:14][c:13]([O:12][CH3:11])[cH:57][cH:56]4)[CH2:47][c:48]4[cH:49][cH:50][c:51]([O:54][CH3:55])[cH:52][cH:53]4)[n:24][c:23]([CH3:25])[n:22]3)[cH:27][c:28]([CH2:33][N:34]3[CH2:35][CH2:36][N:37]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[CH2:38][CH2:39]3)[cH:29][n:30]2)[cH:5][n:6][c:7]1[O:8][CH3:9]