HRID100706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID13512

3,3-Dimethylbutyne

C6H10

HCID24350

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

CuI

结构：COc1cnc2c(Oc3ccc(Nc4nnc(Cl)c5ccccc45)cc3)ccnc2c1

HCID86628665

未命名化合物

PRODUCTS

生成物

结构：COc1cnc2c(Oc3ccc(Nc4nnc(C#CC(C)(C)C)c5ccccc45)cc3)ccnc2c1

HCID67316672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49628f5df8754ab69b141370e433d14d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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