HRID144550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID8360

1,3-Dichloro-5,5-dimethylhydantoin

C5H6Cl2N2O2

HCID8857

Ethyl acetate

C4H8O2

结构：CCCCCCCCCCCCOCCCNC(=O)c1ccc2c(NC(=O)OCC(C)C)cccc2c1O

HCID11763158

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCOCCCNC(=O)c1cc(Cl)c2c(NC(=O)OCC(C)C)cccc2c1O

HCID10897037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d900cd27ca7f4433a5ca5014d5cbd3b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[O:13][CH2:14][CH2:15][CH2:16][NH:17][C:18](=[O:19])[c:20]1[c:21]([OH:38])[c:22]2[cH:23][cH:24][cH:25][c:26]([NH:30][C:31](=[O:32])[O:33][CH2:34][CH:35]([CH3:36])[CH3:37])[c:27]2[cH:28][cH:29]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:56][C:57](=[O:58])[CH3:59].[Cl:39][N:40]1[C:41]([CH3:42])([CH3:43])[C:44](=[O:45])[N:46]([Cl:47])[C:48]1=[O:49]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[O:13][CH2:14][CH2:15][CH2:16][NH:17][C:18](=[O:19])[c:20]1[c:21]([OH:38])[c:22]2[cH:23][cH:24][cH:25][c:26]([NH:30][C:31](=[O:32])[O:33][CH2:34][CH:35]([CH3:36])[CH3:37])[c:27]2[c:28]([Cl:39])[cH:29]1