HRID109718

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

HCID61668

Boronic acid

H3BO2

HCID67880

Benzonitrile, 3-fluoro-

C7H4FN

HCID23435582

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：CC1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2C(C)(c2ccccc2)O1

HCID18374557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9178e4a9ab694b45b320a895e913f67d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[BH:20]([OH:21])[OH:22].[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[C:7]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)([CH3:18])[O:8][CH:9]([CH3:11])[NH:10]2.[C:23](#[N:24])[c:25]1[cH:26][cH:27][cH:28][c:29]([F:31])[cH:30]1.[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:44].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([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)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([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)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([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)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1(-[c:27]2[cH:26][c:25]([C:23]#[N:24])[cH:30][c:29]([F:31])[cH:28]2)[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[C:7]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)([CH3:18])[O:8][CH:9]([CH3:11])[NH:10]2