HRID311049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID54920827

Methyl 4-[(3-amino-1H-pyrazol-1-yl)methyl]benzoate

C12H13N3O2

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：COC(=O)c1ccc(Cn2ccc(NC(=O)C(=NOC3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)n2)cc1

HCID74381126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-164b92a047c341a9a5591830a05c977c
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

[CH2:49]([Cl:50])[Cl:51].[CH3:23][O:24][C:25]([c:26]1[cH:27][cH:28][c:29]([CH2:32][n:33]2[n:34][c:35]([NH2:38])[cH:36][cH:37]2)[cH:30][cH:31]1)=[O:39].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[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]>>[Cl:1][c:2]1[cH:3][c:4]([C:12]([C:13](=[O:15])[NH:38][c:35]2[n:34][n:33]([CH2:32][c:29]3[cH:28][cH:27][c:26]([C:25]([O:24][CH3:23])=[O:39])[cH:31][cH:30]3)[cH:37][cH:36]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]