HRID1212441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID83717

Copper iodide (CuI2)

CuI2

HCID58547788

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

C9H16OSi

结构：CC(C)(C)COc1cnc2c(c1)C1(COC(N)=N1)c1cc(Br)ccc1O2

HCID67240634

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)COc1cnc2c(c1)C1(COC(N)=N1)c1cc(C#CC3(C)COC3)ccc1O2

HCID67239640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1ea5f50760043aa8103087ae59e9d80
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[cH:3][c:4]2[c:19]([cH:20][cH:21]1)[O:18][c:7]1[c:6]([cH:11][c:10]([O:12][CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:9][n:8]1)[C:5]21[N:22]=[C:23]([NH2:26])[O:24][CH2:25]1.[CH3:39][Si:40]([C:41]#[C:42][C:43]1([CH3:47])[CH2:44][O:45][CH2:46]1)([CH3:48])[CH3:49].[CH:32]([NH:33][CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cu:50]([I:51])[I:52].[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([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)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([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)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1([C:41]#[C:42][C:43]2([CH3:47])[CH2:44][O:45][CH2:46]2)[cH:3][c:4]2[c:19]([cH:20][cH:21]1)[O:18][c:7]1[c:6]([cH:11][c:10]([O:12][CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:9][n:8]1)[C:5]21[N:22]=[C:23]([NH2:26])[O:24][CH2:25]1