HRID1555817

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734369

[4-(Methoxycarbonyl)phenyl]boronic acid

C8H9BO4

HCID22171428

未命名化合物

反应SMILES：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

产物

反应SMILES：COC(=O)c1ccc(-c2ccc(CCCNC(=O)C(F)(F)F)cc2)cc1

HCID22171344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6265a9c33da44616a8e091831fd7c989
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH3:18][O:19][C:20](=[O:21])[c:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1.[CH3:37][O:38][CH2:39][CH2:40][O:41][CH3:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([I:15])[cH:13][cH:14]1)([F:16])[F:17].[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[OH2:49].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:25]2[cH:24][cH:23][c:22]([C:20]([O:19][CH3:18])=[O:21])[cH:27][cH:26]2)[cH:13][cH:14]1)([F:16])[F:17]