HRID1204593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID24350

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

CuI

HCID3870744

Methanesulfinate

CH3O2S-

结构：CC(C)Oc1ccc(COc2ccc3c(c2)c(I)c2n3CCC2CC(=O)OC(C)(C)C)cc1C#N

HCID86654873

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(COc2ccc3c(c2)c(S(C)(=O)=O)c2n3CCC2CC(=O)OC(C)(C)C)cc1C#N

HCID67250041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2584ac7fe4f14e4fa13d00b75c045b62
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

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