HRID103280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1c(Nc2c(I)cncc2C#N)cc(Cl)c2[nH]ccc12

HCID68447035

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc2cc(C=O)ccc2o1

HCID86616834

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：Cc1c(Nc2c(C#N)cncc2-c2cc3cc(C=O)ccc3o2)cc(Cl)c2[nH]ccc12

HCID86616837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad14bdfab27c48f2a6c402c65f98ca5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:22]([Sn:23]([CH2:24][CH2:25][CH2:26][CH3:38])([c:27]1[o:28][c:29]2[c:30]([cH:31]1)[cH:32][c:33]([CH:36]=[O:37])[cH:34][cH:35]2)[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:1][c:2]1[cH:3][c:4]([NH:12][c:13]2[c:14]([I:21])[cH:15][n:16][cH:17][c:18]2[C:19]#[N:20])[c:5]([CH3:11])[c:6]2[cH:7][cH:8][nH:9][c:10]12.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[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>>[Cl:1][c:2]1[cH:3][c:4]([NH:12][c:13]2[c:14](-[c:27]3[o:28][c:29]4[c:30]([cH:31]3)[cH:32][c:33]([CH:36]=[O:37])[cH:34][cH:35]4)[cH:15][n:16][cH:17][c:18]2[C:19]#[N:20])[c:5]([CH3:11])[c:6]2[cH:7][cH:8][nH:9][c:10]12