HRID2338642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID69676

Benzene, 1-iodo-4-methoxy-

C7H7IO

HCID54514739

未命名化合物

结构：O=C1Nc2ccc(C#Cc3ccc(O)cc3)cc2C1=Cc1ccc[nH]1

HCID69947712

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C#Cc2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)cc1

HCID69948120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-071c1e592d5f470c8adf58b03b65ebbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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