HRID2133058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

HCID11116816

未命名化合物

结构：COC(=O)C(Cc1ccc(I)c(Cl)c1)NC(=O)OC(C)(C)C

HCID178499900

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(C2=CC(=O)N(C(C)(C)C)S2(=O)=O)c(Cl)c1)NC(=O)OC(C)(C)C

HCID178499773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d81a93056ba478da7576fa3d48529df
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

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