HRID699346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID947

Nitrogen

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID13851

Thiophene, 2-bromo-

C4H3BrS

HCID23938

Palladium

HCID2734652

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C12H18BNO2

PRODUCTS

生成物

HCID4116097

2-(2-thienyl)aniline

C10H9NS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-458c5ef79f124cb69c41836437e7f190
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:3][c:4]1[s:5][cH:6][cH:7][cH:8]1.[CH3:30][O:31][CH2:32][CH2:33][O:34][CH3:35].[CH3:9][C:10]1([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15][B:16]([c:17]2[c:18]([NH2:23])[cH:19][cH:20][cH:21][cH:22]2)[O:24]1.[N:1]#[N:2].[Na+:29].[O-:25][C:26]([OH:27])=[O:28].[Pd:36].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:56]1([P:57]([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)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([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)[cH:89][cH:90][cH:91][cH:92][cH:93]1.[c:94]1([P:95]([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)[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[c:4]1(-[c:17]2[c:18]([NH2:23])[cH:19][cH:20][cH:21][cH:22]2)[s:5][cH:6][cH:7][cH:8]1