HRID167297

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID45036937

5-Bromo-4-methoxypyrimidin-2-amine

C5H6BrN3O

结构：CC(C)(C)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-]

HCID53217134

N-tert-Butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C16H25BN2O4

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：COc1nc(N)ncc1-c1ccc(NC(C)(C)C)c([N+](=O)[O-])c1

HCID58542042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91bdf2056fd94541a4f9ff3a49aae222
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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