HRID1213353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID83717

Copper iodide (CuI2)

CuI2

HCID138823

Cyclopropylacetylene

C5H6

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

HCID67241789

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)(F)COc1cnc2c(c1)C1(COC(N)=N1)c1cc(C#CC3CC3)ccc1O2

HCID67241867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7350f3b3887446868f53c673912d4b23
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])[F:17])[cH:9][n:8]1)[C:5]21[N:22]=[C:23]([NH2:26])[O:24][CH2:25]1.[CH3:127][CH2:128][O:129][C:130](=[O:131])[CH3:132].[CH:32]([NH:33][CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[CH:39]1([C:42]#[CH:43])[CH2:40][CH2:41]1.[Cu:124]([I:125])[I:126].[Cu:45][I:46].[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[OH2:44].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([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)[P:91]([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)[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)[cH:122][cH:123]1>>[c:2]1([C:43]#[C:42][CH:39]2[CH2:40][CH2:41]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])[F:17])[cH:9][n:8]1)[C:5]21[N:22]=[C:23]([NH2:26])[O:24][CH2:25]1