HRID673082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID2763293

4-Amino-5-bromo-2-chloropyrimidine

C4H3BrClN3

结构：CCC[CH2][Sn]([CH]=COCC)([CH2]CCC)[CH2]CCC

HCID2763294

2-Ethoxy-1-(tributylstannyl)ethene

C16H34OSn

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

HCID57348973

2-Chloro-5-(2-ethoxyethenyl)pyrimidin-4-amine

C8H10ClN3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b0c51973dca48ff9dd90dfb26beeef0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([NH2:9])[n:4][c:5]([Cl:8])[n:6][cH:7]1.[CH2:17]([Sn:18]([CH2:19][CH2:20][CH2:21][CH3:27])([CH:22]=[CH:23][O:24][CH2:25][CH3:26])[CH2:28][CH2:29][CH2:30][CH3:31])[CH2:32][CH2:33][CH3:34].[CH3:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([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)([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)([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)[cH:116][cH:117]1>>[c:2]1([CH:22]=[CH:23][O:24][CH2:25][CH3:26])[c:3]([NH2:9])[n:4][c:5]([Cl:8])[n:6][cH:7]1