HRID950339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COCCOc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccncc3)cc2)cc1

HCID11706034

未命名化合物

HCID59557960

未命名化合物

PRODUCTS

生成物

结构：COCCOc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(C)c3)cc2F)cc1

HCID11663769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5688c621d3494999a6f595c3be173561
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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