HRID1139892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID10821

Phenylacetylene

C8H6

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

反应SMILES：CC(C)n1nc(-c2nc(Br)c(N)nc2-c2ccccc2)ccc1=O

HCID86600915

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)n1nc(-c2nc(C#Cc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O

HCID69333236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6afbdef7909e41789b18f651dad234be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:32](#[CH:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:40][CH2:41][CH2:42][Cl:43].[Cu:44][I:45].[NH2:8][c:9]1[n:10][c:11](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:12](-[c:16]2[cH:17][cH:18][c:19](=[O:25])[n:20]([CH:22]([CH3:23])[CH3:24])[n:21]2)[n:13][c:14]1[Br:15].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[NH2:8][c:9]1[n:10][c:11](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:12](-[c:16]2[cH:17][cH:18][c:19](=[O:25])[n:20]([CH:22]([CH3:23])[CH3:24])[n:21]2)[n:13][c:14]1[C:33]#[C:32][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1