HRID1218188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31374

Dimethylacetamide

C4H9NO

HCID75645

Cyclobutanamine

C4H9N

结构：CS(=O)(=O)c1ccc(I)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

HCID59793691

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(NC2CCC2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

HCID68843963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f87db77d1e64f97ade901dc7cf947a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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