HRID96320

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)c(Cl)cnc32)cc1

HCID58293441

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cc(C(=O)O)c3c(C=O)c(Cl)cnc32)cc1

HCID58293493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fa0b7f7e2f94c82b318a1040f2ca659
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH3:31][C:32]([O:33][C:34](=[O:35])[CH3:36])=[O:37].[CH3:47][OH:48].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[CH:4](=[O:5])[O-:6].[Cl-:2].[Cl:49][CH2:50][Cl:51].[Cl:8][c:9]1[c:10]([CH:29]=[O:30])[c:11]2[c:12]([n:13][cH:14]1)[n:15]([S:19](=[O:20])(=[O:21])[c:22]1[cH:23][cH:24][c:25]([CH3:26])[cH:27][cH:28]1)[cH:16][c:17]2[I:18].[Li+:1].[Li+:7].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:3].[Pd+2:56]>>[C:4](=[O:5])([OH:6])[c:17]1[c:11]2[c:10]([CH:29]=[O:30])[c:9]([Cl:8])[cH:14][n:13][c:12]2[n:15]([S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][c:25]([CH3:26])[cH:27][cH:28]2)[cH:16]1