HRID2127149

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

HCID69317100

未命名化合物

PRODUCTS

生成物

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

HCID11530854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50f48a8a9dfb4d6ba2342abc9164eca1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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]([CH3:18])([CH3:19])[CH3:20])[s:6]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cu:88][I:89].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[Pd:47]([Cl:48])[Cl:49].[c:21]1([C:27]#[CH:28])[cH:22][cH:23][cH:24][cH:25][cH:26]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[c:2]1([C:28]#[C:27][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]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]([CH3:18])([CH3:19])[CH3:20])[s:6]1