HRID2315539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

反应SMILES：CCS(=O)(=O)c1cccc(-c2cc(NC)c(OC)c3[nH]c4ncc(C)cc4c23)c1

HCID58880127

未命名化合物

PRODUCTS

产物

反应SMILES：CCS(=O)(=O)c1cccc(-c2cc(N(C)C(=O)C3CC3)c(OC)c3[nH]c4ncc(C)cc4c23)c1

HCID58880140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-408488616a7d47929b3b878dc52e167f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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