HRID2162578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7294

Methyl acrylate

C4H6O2

结构：COC(=O)CC1c2cccc(F)c2NC(=O)N1c1cc(C(F)(F)F)ccc1OC

HCID12001993

未命名化合物

HCID57857532

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1cccc(F)c1NC(=O)Nc1cc(C(F)(F)F)ccc1OC

HCID76644879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5a944ec99c44ec1a208749632087670
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:53]([O:54][CH3:55])(=[O:56])[CH:57]=[CH2:58].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[NH:10][C:9](=[O:12])[N:8]([c:13]1[c:14]([O:23][CH3:24])[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)[CH:7]2[CH2:25][C:26](=[O:27])[O:28][CH3:29].[F:30][c:31]1[cH:32][cH:33][cH:34][cH:35][c:36]1[NH:37][C:38]([NH:39][c:40]1[cH:41][c:42]([C:43]([F:44])([F:45])[F:46])[cH:47][cH:48][c:49]1[O:50][CH3:51])=[O:52]>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH:7]=[CH:25][C:26](=[O:27])[O:28][CH3:29])[c:11]1[NH:10][C:9]([NH:8][c:13]1[c:14]([O:23][CH3:24])[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)=[O:12]