HRID1118253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2736842

Methyl 2-chloroisonicotinate

C7H6ClNO2

HCID54576546

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)c1ccnc(-c2ccc(OCC(C)C)c(C#N)c2)c1

HCID66995295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c35bfdfc9cd4c53b1fb97768c1672f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([B:14]([OH:15])[OH:16])[cH:6][cH:7][c:8]1[O:9][CH2:10][CH:11]([CH3:12])[CH3:13].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:17][c:18]1[cH:19][c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26][n:27]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-: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:1](#[N:2])[c:3]1[cH:4][c:5](-[c:18]2[cH:19][c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26][n:27]2)[cH:6][cH:7][c:8]1[O:9][CH2:10][CH:11]([CH3:12])[CH3:13]