HRID119754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID180

Acetone

C3H6O

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

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

HCID137268

2-Ethynyl pyridine

C7H5N

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

HCID86600915

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1nc(-c2nc(C#Cc3ccccn3)c(N)nc2-c2ccccc2)ccc1=O

HCID69331924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a7e28c48c8848b2b3a0b2d3d932cd5d
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

[C:32](#[CH:33])[c:34]1[n:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:45][C:46](=[O:47])[CH3:48].[Cl:41][CH2:42][CH2:43][Cl:44].[Cu:49][I:50].[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].[OH2:40].[Pd:51]([Cl:52])[Cl:53].[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]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[n:35][cH:36][cH:37][cH:38][cH:39]1