HRID2137107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID3857574

Benzenesulfinate

C6H5O2S-

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3[nH]nc(I)c23)CC1

HCID178452228

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3[nH]nc(S(=O)(=O)c4ccccc4)c23)CC1

HCID178452229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7454aa4c0c3e42e7a14dcb7f48423200
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]3[c:16]([I:23])[n:17][nH:18][c:19]3[cH:20][cH:21][cH:22]2)[CH2:12][CH2:13]1.[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[Cu:34][I:35].[Na+:33].[c:24]1([S:30](=[O:31])[O-:32])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]3[c:16]([S:30]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)(=[O:31])=[O:32])[n:17][nH:18][c:19]3[cH:20][cH:21][cH:22]2)[CH2:12][CH2:13]1