HRID686895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID7059263

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

C13H11ClFNO

HCID53390821

未命名化合物

HCID136162616

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-d5a6a451234d436faf72546839c10773
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

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