HRID111444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

结构：CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(COS(C)(=O)=O)cn1

HCID86652250

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCNCc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

HCID67050142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-334bb0182acb492e98ab4296721eb6e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:14][C:15](=[O:16])[c:17]2[n:18][cH:19][c:20]([CH2:23][O:24][S:25]([CH3:26])(=[O:27])=[O:28])[cH:21][cH:22]2)[cH:11][s:12][cH:13]1.[CH3:29][N:30]([CH2:31][CH2:32][NH2:33])[CH3:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:45][C:46]#[N:47].[Cl:42][CH2:43][Cl:44].[OH2:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:14][C:15](=[O:16])[c:17]2[n:18][cH:19][c:20]([CH2:23][NH:33][CH2:32][CH2:31][N:30]([CH3:29])[CH3:34])[cH:21][cH:22]2)[cH:11][s:12][cH:13]1