HRID1546677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7222

Benzothiazole

C7H5NS

HCID11776

Triphenylphosphine

C18H15P

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID105144

Palladium(2+)

Pd+2

结构：COCC(C)NC(=O)c1cc(I)cc(-c2ccc(C)cc2)c1

HCID59432537

未命名化合物

PRODUCTS

生成物

结构：COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nc3ccccc3s2)c1

HCID59432559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6914cb9bfa714853a8025ccf4649f5fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][CH2:3][CH:4]([CH3:5])[NH:6][C:7](=[O:8])[c:9]1[cH:10][c:11](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[cH:12][c:13]([I:15])[cH:14]1.[Cu:56][I:57].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[Pd+2:58].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1.[cH:42]1[cH:43][cH:44][c:45]2[s:46][cH:47][n:48][c:49]2[cH:50]1>>[CH3:1][O:2][CH2:3][CH:4]([CH3:5])[NH:6][C:7](=[O:8])[c:9]1[cH:10][c:11](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[cH:12][c:13](-[c:47]2[s:46][c:45]3[cH:44][cH:43][cH:42][cH:50][c:49]3[n:48]2)[cH:14]1