HRID164466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID904

N-Acetylaminobenzene

C8H9NO

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：O=S(=O)(C=CC(=Nc1ccccc1)Oc1ccccc1)c1ccccc1

HCID86617322

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(C=CC(=Nc1ccccc1)Oc1ccccc1)c1ccccc1

HCID86617323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-986309209b054b9a871a2db0fc4ac258
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

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