HRID1120761

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10821

Phenylacetylene

C8H6

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID24350

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

CuI

结构：CC(C)(C)CC(C)(C)Nc1c(-c2ccc(Br)s2)nc2cnccn12

HCID69316811

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccc3)s2)nc2cnccn12

HCID69320956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72aff6b02257405880d59855a28800ab
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

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]3[n:10]([cH:11][cH:12][n:13][cH:14]3)[c:15]2[NH:16][C:17]([CH2:18][C:19]([CH3:20])([CH3:21])[CH3:22])([CH3:23])[CH3:24])[s:6]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cu:92][I:93].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[Pd:51]([Cl:52])[Cl:53].[c:25]1([C:31]#[CH:32])[cH:26][cH:27][cH:28][cH:29][cH:30]1.[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>>[c:2]1([C:32]#[C:31][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]3[n:10]([cH:11][cH:12][n:13][cH:14]3)[c:15]2[NH:16][C:17]([CH2:18][C:19]([CH3:20])([CH3:21])[CH3:22])([CH3:23])[CH3:24])[s:6]1