HRID1539245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID17962028

5-Amino-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile

C7H10N4

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cn2c(n1)-c1ccc(C(=O)OC)cc1OCC2

HCID58205021

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：COC(=O)c1ccc2c(c1)OCCn1cc(-c3c(C#N)cnn3C(C)C)nc1-2

HCID58204350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aabdf088eb1a47e18e8e3e22c740f32f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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