HRID312672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID101445

2-Propynamide

C3H3NO

结构：CC(C)c1nc2c(I)c[nH]c(=O)c2c2cc(Br)ccc12

HCID59375619

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)c1nc2c(C#CC(N)=O)c[nH]c(=O)c2c2cc(Br)ccc12

HCID59375683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c25482a798b4bb3b8f7301ac969c50b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:16]([CH3:17])[CH3:18])[n:7][c:8]3[c:9]([I:15])[cH:10][nH:11][c:12](=[O:14])[c:13]23)[cH:19][cH:20]1.[C:21]([C:22]#[CH:23])(=[O:24])[NH2:25].[Cu:26][I:27].[O:105]=[CH:106][N:107]([CH3:108])[CH3:109].[cH:28]1[cH:29][cH:30][c:31]([P:32]([Pd:33]([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:16]([CH3:17])[CH3:18])[n:7][c:8]3[c:9]([C:23]#[C:22][C:21](=[O:24])[NH2:25])[cH:10][nH:11][c:12](=[O:14])[c:13]23)[cH:19][cH:20]1