HRID320422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID16227213

2-Amino-1,3-thiazole-5-carboxamide

C4H5N3OS

结构：CS(=O)(=O)c1ccc(C(=NOC2CCCC2)C(=O)O)cc1Cl

HCID91520892

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(=NOC2CCCC2)C(=O)Nc2ncc(C(N)=O)s2)cc1Cl

HCID74381127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b1dd2d82749408dbe37e459b83337d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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