HRID213990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID46738005

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

C13H20BNO2

结构：CN1CCN(C)C(c2ccc(Nc3nc(Br)cn(C)c3=O)cc2)C1=O

HCID57625129

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：Cc1c(N)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3C(=O)N(C)CCN3C)cc2)n1

HCID57625147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad116ceeb3b24e92ad53f508d310a43f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([NH:10][c:11]2[cH:12][cH:13][c:14]([CH:17]3[N:18]([CH3:25])[CH2:19][CH2:20][N:21]([CH3:24])[C:22]3=[O:23])[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[CH2:134]1[O:135][CH2:136][CH2:137][O:138][CH2:139]1.[CH3:128][CH2:129][O:130][C:131](=[O:132])[CH3:133].[CH3:26][c:27]1[c:28]([NH2:42])[cH:29][cH:30][cH:31][c:32]1[B:33]1[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]1.[ClH:49].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:50].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([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)[cH:126][cH:127]1>>[c:2]1(-[c:32]2[c:27]([CH3:26])[c:28]([NH2:42])[cH:29][cH:30][cH:31]2)[n:3][c:4]([NH:10][c:11]2[cH:12][cH:13][c:14]([CH:17]3[N:18]([CH3:25])[CH2:19][CH2:20][N:21]([CH3:24])[C:22]3=[O:23])[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1