HRID303755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID28179

Fluoride

F-

HCID28557

18-Crown-6

C12H24O6

HCID58547788

Trimethyl[(3-methyloxetan-3-yl)ethynyl]silane

C9H16OSi

结构：NC1=NC2(COC1)c1cc(-c3cccnc3F)ccc1Oc1ncc(Br)cc12

HCID67436957

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：CC1(C#Cc2cnc3c(c2)C2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)COC1

HCID67437746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8d93538cac74cc5bdfa3b7af9e015ec
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:32][c:33]1[cH:34][c:35]2[c:36]([n:37][cH:38]1)[O:39][c:40]1[cH:41][cH:42][c:43](-[c:53]3[c:54]([F:59])[n:55][cH:56][cH:57][cH:58]3)[cH:44][c:45]1[C:46]21[CH2:47][O:48][CH2:49][C:50]([NH2:52])=[N:51]1.[CH3:21][Si:22]([C:23]#[C:24][C:25]1([CH3:29])[CH2:26][O:27][CH2:28]1)([CH3:30])[CH3:31].[Cu:137][I:138].[F-:19].[K+:20].[O:139]=[CH:140][N:141]([CH3:142])[CH3:143].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6][O:7][CH2:8][CH2:9][O:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[C:23](#[C:24][C:25]1([CH3:29])[CH2:26][O:27][CH2:28]1)[c:33]1[cH:34][c:35]2[c:36]([n:37][cH:38]1)[O:39][c:40]1[cH:41][cH:42][c:43](-[c:53]3[c:54]([F:59])[n:55][cH:56][cH:57][cH:58]3)[cH:44][c:45]1[C:46]21[CH2:47][O:48][CH2:49][C:50]([NH2:52])=[N:51]1