HRID1561604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CC1(C)OB(c2ccc3cn(Cc4ccccc4)nc3c2)OC1(C)C

HCID58529313

未命名化合物

HCID58529751

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)C1CC1Cc1cc(-c2ccc3cn(Cc4ccccc4)nc3c2)c2c(N)ncnn12

HCID58529371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc4adf80c485450baaa0554ffe1e3d32
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

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