HRID1556518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

结构：CCOC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID46737998

Ethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

C16H23BO4

结构：Cc1cc(-c2onc(C)c2NC(=O)OC(C)c2ccccc2F)ccc1Br

HCID76191771

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3F)cc2C)cc1

HCID67352418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec9a74d19fd442298c234992f500c9af
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

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