HRID2136142

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

HCID31275

1,4-Dioxane

C4H8O2

HCID17750270

5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

结构：CN1CCN(c2ccc(Nc3ncc(Br)n4ccnc34)cc2)CC1

HCID59022979

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：Cc1[nH]ncc1-c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)c2nccn12

HCID59022982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34205b8dda244e3ea0b644d72e02b0b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:16][c:17]1[cH:18][n:19][c:20]([NH:26][c:27]2[cH:28][cH:29][c:30]([N:33]3[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]3)[cH:31][cH:32]2)[c:21]2[n:22]1[cH:23][cH:24][n:25]2.[C:51](=[O:52])([O-:53])[O-:54].[CH3:1][c:2]1[c:3]([B:7]2[O:8][C:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15]2)[cH:4][n:5][nH:6]1.[Na+:55].[Na+:56].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[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>>[CH3:1][c:2]1[c:3](-[c:17]2[cH:18][n:19][c:20]([NH:26][c:27]3[cH:28][cH:29][c:30]([N:33]4[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]4)[cH:31][cH:32]3)[c:21]3[n:22]2[cH:23][cH:24][n:25]3)[cH:4][n:5][nH:6]1