HRID1567055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID12085

Benzoic acid, 4-iodo-

C7H5IO2

HCID83717

Copper iodide (CuI2)

CuI2

结构：C#CC(O)c1cc(-c2ccc(C)cc2)c(OCc2ccccc2)c(C(C)(C)C)c1

HCID12084819

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cc(C(O)C#Cc3ccc(C(=O)O)cc3)cc(C(C)(C)C)c2OCc2ccccc2)cc1

HCID10051856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3605407bf6d4a8cacac86017140e9f1
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:11][c:12]([CH:22]([C:23]#[CH:24])[OH:25])[cH:13][c:14]1-[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl-:40].[Cu:54]([I:55])[I:56].[I:30][c:31]1[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1.[NH4+:41]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:11][c:12]([CH:22]([C:23]#[C:24][c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]2)[OH:25])[cH:13][c:14]1-[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1