HRID1142894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66970

Ethanamine, 2-ethoxy-

C4H11NO

结构：CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1

HCID57989776

未命名化合物

PRODUCTS

生成物

结构：CCOCCNc1nccc(-c2sc(C(C)C)nc2-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)n1

HCID57990064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa1f4e5c3eb94988ae2159e277f58292
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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