HRID2317565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID283

Formic acid, ion(1-)

CHO2-

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID28486

Lithium ion

Li+

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

结构：Cc1ccc(S(=O)(=O)n2cc(I)c3c(C=O)ccnc32)cc1

HCID58293416

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cc(C(=O)O)c3c(C=O)ccnc32)cc1

HCID58293436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70aa989bdb13456896462c4553ec5721
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

[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:30][C:31]([O:32][C:33](=[O:34])[CH3:35])=[O:36].[CH3:46][OH:47].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[CH:4](=[O:5])[O-:6].[Cl-:2].[Cl:48][CH2:49][Cl:50].[I:8][c:9]1[cH:10][n:11]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[c:12]2[n:13][cH:14][cH:15][c:16]([CH:18]=[O:19])[c:17]12.[Li+:1].[Li+:7].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:3].[Pd+2:55]>>[C:4](=[O:5])([OH:6])[c:9]1[cH:10][n:11]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[c:12]2[n:13][cH:14][cH:15][c:16]([CH:18]=[O:19])[c:17]12