HRID160616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID795

Imidazole

C3H4N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7059263

3-Chloro-4-[(3-fluorophenyl)methoxy]aniline

C13H11ClFNO

HCID53390821

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c2724c0604f40fd90a6d4d131893aa2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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