HRID2323551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)NCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID66623782

未命名化合物

PRODUCTS

生成物

结构：NCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID21952026

6-[5-(Aminomethyl)furan-2-yl]-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}quinazolin-4-amine

C26H20ClFN4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35668de39ee74bbc93a2149dd5ff2bf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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