HRID695279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

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

HCID58529313

未命名化合物

HCID58529424

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：Nc1ncnn2c(C(=O)CN3CCOCC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

HCID58529620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4439be38abd4729a068158efb0ce33b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[n:33]1[n:34][c:35]2[cH:36][c:37]([B:42]3[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]3)[cH:38][cH:39][c:40]2[cH:41]1.[CH2:57]1[O:58][CH2:59][CH2:60][O:61][CH2:62]1.[K+:51].[K+:52].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8]([Br:20])[cH:9][c:10]2[C:11]([CH2:12][N:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1)=[O:19].[O-:53][C:54]([O-:55])=[O:56].[O:21]=[CH:22][N:23]([CH3:24])[CH3:25].[OH2:140].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([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)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([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)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:37]1[cH:36][c:35]3[n:34][n:33]([CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[cH:41][c:40]3[cH:39][cH:38]1)[cH:9][c:10]2[C:11]([CH2:12][N:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1)=[O:19]