HRID2342542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

HCID2739289

3-(1,3-oxazol-5-yl)aniline

C9H8N2O

结构：O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1)C(F)(F)F

HCID59513717

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1)C(F)(F)F

HCID57737242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-460473e75eb548e49610ee981f152d11
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

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