HRID959639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID23381

Benzonitrile, m-bromo-

C7H4BrN

HCID10987806

(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid

C10H12BNO4

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(C)OC(=O)Nc2ccc(-c3cccc(C#N)c3)cc21

HCID9814216

3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzonitrile

C17H14N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2470dfd8ba54a5a9d72bddffb2fe5e5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:17][c:18]1[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25]1.[CH3:1][C:2]1([CH3:16])[O:3][C:4](=[O:15])[NH:5][c:6]2[c:7]1[cH:8][c:9]([B:12]([OH:13])[OH:14])[cH:10][cH:11]2.[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[OH2:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[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)[cH:114][cH:115]1>>[CH3:1][C:2]1([CH3:16])[O:3][C:4](=[O:15])[NH:5][c:6]2[c:7]1[cH:8][c:9](-[c:18]1[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25]1)[cH:10][cH:11]2