HRID291298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8258

2-Methyl-3-butyn-2-ol

C5H8O

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

结构：Fc1ccc(Br)c(OC2CCN(c3ncc(Br)cn3)CC2)c1

HCID68820780

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)(O)C#Cc1cnc(N2CCC(Oc3cc(F)ccc3Br)CC2)nc1

HCID68818392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23721ee202e74c4aad71de4340952d45
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][n:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:15]3[c:16]([Br:22])[cH:17][cH:18][c:19]([F:21])[cH:20]3)[CH2:12][CH2:13]2)[n:6][cH:7]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:29][C:30]([CH3:31])([C:32]#[CH:33])[OH:34].[Cu:35][I:36].[K+:27].[K+:28].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113]1>>[c:2]1([C:33]#[C:32][C:30]([CH3:29])([CH3:31])[OH:34])[cH:3][n:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:15]3[c:16]([Br:22])[cH:17][cH:18][c:19]([F:21])[cH:20]3)[CH2:12][CH2:13]2)[n:6][cH:7]1