HRID214988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1cnc(Br)cc1-c1cc(-c2ccc(CN3CCCCC3)cc2)cnc1F

HCID58266626

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：C[Si](C)(C)C#Cc1cc(-c2cc(-c3ccc(CN4CCCCC4)cc3)cnc2F)c(N)cn1

HCID58266549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cce59d981b2d4927b64b77b17170894c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4](-[c:9]2[c:10]([F:28])[n:11][cH:12][c:13](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][N:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)[cH:19][cH:20]3)[cH:14]2)[c:5]([NH2:8])[cH:6][n:7]1.[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:38][Si:39]([CH3:40])([CH3:41])[C:42]#[CH:43].[CH3:53][OH:54].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:50][CH2:51][Cl:52].[Cu:55][I:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:2]1([C:43]#[C:42][Si:39]([CH3:38])([CH3:40])[CH3:41])[cH:3][c:4](-[c:9]2[c:10]([F:28])[n:11][cH:12][c:13](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][N:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)[cH:19][cH:20]3)[cH:14]2)[c:5]([NH2:8])[cH:6][n:7]1