HRID1131826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID688611

tert-Butyl (4-aminophenyl)carbamate

C11H16N2O2

结构：CC(C)(C)N1C(=O)C(Cl)=C(c2ccccc2)S1(=O)=O

HCID67242627

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(NC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)cc1

HCID11677176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f868a9cb33149af9030154dbeaeaa79
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([Cl:11])[C:9]1=[O:10].[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[NH2:20][c:21]1[cH:22][cH:23][c:24]([NH:27][C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[cH:25][cH:26]1.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([NH:20][c:21]2[cH:22][cH:23][c:24]([NH:27][C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[cH:25][cH:26]2)[C:9]1=[O:10]