HRID113613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID13512

3,3-Dimethylbutyne

C6H10

HCID24350

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

CuI

结构：NC1=NC2(COC1)c1cc(I)ccc1Oc1ncc(Br)cc12

HCID58465893

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

结构：CC(C)(C)C#Cc1ccc2c(c1)C1(COCC(N)=N1)c1cc(Br)cnc1O2

HCID67387295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d25f257d1a9413fb2963e04720db4c0
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

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([I:22])[cH:13][c:14]1[C:15]21[CH2:16][O:17][CH2:18][C:19]([NH2:21])=[N:20]1.[CH3:30][C:31]([C:32]#[CH:33])([CH3:34])[CH3:35].[CH:23]([NH:24][CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Cu:113][I:114].[O:115]=[CH:116][N:117]([CH3:118])[CH3:119].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([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)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([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)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([C:33]#[C:32][C:31]([CH3:30])([CH3:34])[CH3:35])[cH:13][c:14]1[C:15]21[CH2:16][O:17][CH2:18][C:19]([NH2:21])=[N:20]1