HRID137232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID4130342

4-(Thiophen-3-yl)phenol

C10H8OS

HCID59752964

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1COc1ccc(Oc2ccc(-c3ccsc3)cc2)cc1

HCID69000339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7444d89d80aa46129de6240251972b15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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