HRID2327009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13345

Triethyl phosphonoacetate

C8H17O5P

结构：O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID11181296

5-(4-{3-Chloro-4-[(3-fluorophenyl)methoxy]anilino}quinazolin-6-yl)furan-2-carbaldehyde

C26H17ClFN3O3

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID68874066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f163a384220448d8951f27790cb676c
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

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