HRID1137390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4574913

未命名化合物

HCID23546919

(2-Methoxypyridin-4-yl)boronic acid

C6H8BNO3

结构：O=C(NCc1cccnc1)c1ccc(Nc2ccc(Cl)n3ncnc23)cc1

HCID57664352

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：COc1cc(-c2ccc(Nc3ccc(C(=O)NCc4cccnc4)cc3)c3ncnn23)ccn1

HCID57664379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2524e9eb40004968965068ce5ebf4155
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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