HRID2338139

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：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccnc(C)c1

HCID21660574

2-Methyl-4-(tributylstannyl)pyridine

C18H33NSn

HCID58447937

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：CCOC(=O)C(C(=O)OCC)c1cnc(-c2ccnc(C)c2)c(C)c1

HCID58447640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d06f81fe17944b80b33cc92f2c201655
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:20][c:21]1[n:22][cH:23][cH:24][c:25]([Sn:27]([CH2:28][CH2:29][CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39])[cH:26]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[c:3]([CH3:19])[cH:4][c:5]([CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:6][n:7]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([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)[cH:126][cH:127]1>>[c:2]1(-[c:25]2[cH:24][cH:23][n:22][c:21]([CH3:20])[cH:26]2)[c:3]([CH3:19])[cH:4][c:5]([CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:6][n:7]1