HRID2310879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID24387

Phosphorous trichloride

Cl3P

HCID31374

Dimethylacetamide

C4H9NO

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CC(C)=O)CS(=O)C12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID53772479

未命名化合物

PRODUCTS

生成物

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CC(C)=O)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID54419563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4db276c7215d4b27959794610c809796
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

[CH2:1]([C:2](=[O:3])[CH3:4])[C:5]1=[C:6]([C:47](=[O:48])[O:49][CH:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[N:7]2[C:8](=[O:46])[CH:9]([NH:14][C:15]([C:16]([c:17]3[n:18][c:19]([NH:22][C:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[s:20][cH:21]3)=[N:42][O:43][CH3:44])=[O:45])[CH:10]2[S:11](=[O:13])[CH2:12]1.[CH2:67]([Cl:68])[Cl:69].[CH3:70][N:71]([CH3:72])[C:73](=[O:74])[CH3:75].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[Cl:63][P:64]([Cl:65])[Cl:66]>>[CH2:1]([C:2](=[O:3])[CH3:4])[C:5]1=[C:6]([C:47](=[O:48])[O:49][CH:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[N:7]2[C:8](=[O:46])[CH:9]([NH:14][C:15]([C:16]([c:17]3[n:18][c:19]([NH:22][C:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[s:20][cH:21]3)=[N:42][O:43][CH3:44])=[O:45])[CH:10]2[S:11][CH2:12]1