HRID2154150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID9731

4-Fluoroaniline

C6H6FN

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(S(=O)(=O)n2cc(I)c3c(Cl)nc(Cl)nc32)cc1

HCID57990293

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cc(I)c3c(Nc4ccc(F)cc4)nc(Cl)nc32)cc1

HCID57990415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-013df6c29a5d4b9d82f1fa3568a1b9c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[n:3][c:4]([Cl:22])[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)[cH:9][c:10]2[I:11].[NH2:23][c:24]1[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:40]>>[Cl:1][c:2]1[n:3][c:4]([NH:23][c:24]2[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)[cH:9][c:10]2[I:11]