HRID104054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID16217905

(3-Acetyl-2-fluorophenyl)boronic acid

C8H8BFO3

结构：CN(Cc1cc(Br)n(S(=O)(=O)c2cccnc2)c1)C(=O)OC(C)(C)C

HCID57522258

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：CC(=O)c1cccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cn2S(=O)(=O)c2cccnc2)c1F

HCID66974665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e81d588aa724f5fa8840e078b257866
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

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