HRID1216459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6385

tert-Butylamine

C4H11N

HCID24350

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

CuI

HCID3517811

(6-Bromopyridin-2-yl)methanol

C6H6BrNO

HCID57713812

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID59555426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3a6f3f8b6b3496fb4c1a719dcb8e907
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([CH2:8][OH:9])[cH:5][cH:6][cH:7]1.[C:23]([NH2:24])([CH3:25])([CH3:26])[CH3:27].[CH3:10][N:11]1[CH2:12][CH2:13][N:14]([C:17]([CH2:18][CH2:19][C:20]#[CH:21])=[O:22])[CH2:15][CH2:16]1.[Cu:28][I:29].[O:107]=[CH:108][N:109]([CH3:110])[CH3:111].[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([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)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[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)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106]1>>[c:2]1([C:21]#[C:20][CH2:19][CH2:18][C:17]([N:14]2[CH2:13][CH2:12][N:11]([CH3:10])[CH2:16][CH2:15]2)=[O:22])[n:3][c:4]([CH2:8][OH:9])[cH:5][cH:6][cH:7]1