HRID1236059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID57990293

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(Nc2nc(Cl)nc3c2c(I)cn3S(=O)(=O)c2ccc(C)cc2)cc1

HCID57990348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-09da63e8d43b45a3a270222418b80495
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

[CH3:23][O:24][c:25]1[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[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].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH2:41]>>[Cl:1][c:2]1[n:3][c:4]([NH:31][c:28]2[cH:27][cH:26][c:25]([O:24][CH3:23])[cH:30][cH:29]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]