HRID113066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

2 次

结构：CC(C)(C)OC(=O)NC1CC=C(C#Cc2cnccc2Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)CC1

HCID59852858

未命名化合物

PRODUCTS

生成物

结构：NC1CC=C(C#Cc2cnccc2Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)CC1

HCID11584215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff69d827327d4c09a15a6bb7b01b8c43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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