HRID88300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)n1c(CN2CCNCC2=O)cc2cnccc21

HCID54427836

未命名化合物

HCID54463064

2-(5-Chlorothiophen-2-yl)ethene-1-sulfonyl chloride

C6H4Cl2O2S2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1c(CN2CCN(S(=O)(=O)C=Cc3ccc(Cl)s3)CC2=O)cc2cnccc21

HCID69027176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e09042fe15e74558ab7872e75869aeef
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])[n:8]1[c:9]([CH2:17][N:18]2[C:19](=[O:24])[CH2:20][NH:21][CH2:22][CH2:23]2)[cH:10][c:11]2[cH:12][n:13][cH:14][cH:15][c:16]12.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:44][C:45]#[N:46].[Cl:32][c:33]1[cH:34][cH:35][c:36]([CH:38]=[CH:39][S:40](=[O:41])(=[O:42])[Cl:43])[s:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH2:17][N:18]2[C:19](=[O:24])[CH2:20][N:21]([S:40]([CH:39]=[CH:38][c:36]3[cH:35][cH:34][c:33]([Cl:32])[s:37]3)(=[O:41])=[O:42])[CH2:22][CH2:23]2)[cH:10][c:11]2[cH:12][n:13][cH:14][cH:15][c:16]12