HRID2341651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2733960

Thiophene-2-boronic acid

C4H5BO2S

结构：COC(=O)c1ccc(C(=O)NC(C)c2cccc(Br)c2)s1

HCID69292871

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)NC(C)c2cccc(-c3cccs3)c2)s1

HCID69293412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fb5c169a61e42a1b8735da6cca1a4eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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