HRID1230537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID702

Ethanol

C2H6O

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)CCl)c3C2=O)ccc1OC

HCID18758373

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)CN(C)C)c3C2=O)ccc1OC

HCID11755822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57b08a200c9b450cbeb529b368c4a2b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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