HRID695764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc3ccccc23)cn1

HCID57733010

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc2ccccc2c(-c2ccc(=O)[nH]c2)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1

HCID57733024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0544491800764917b8af32f0e0fedefa
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

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