HRID176439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8426

3-Amino-4-methoxybenzanilide

C14H14N2O2

HCID8857

Ethyl acetate

C4H8O2

HCID87189

4-Isothiocyanatobenzene-1-sulfonic acid

C7H5NO3S2

HCID5360545

Sodium

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2ccccc2)cc1NC(=S)Nc1ccc(S(=O)(=O)O)cc1

HCID54084753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fb21c8489114d2dbef2a86ad7377159
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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