HRID308632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

HCID51341932

2-Bromo-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one

C7H6BrNOS

PRODUCTS

生成物

HCID66673069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bf8f2a203404668b8d34a187ebbae72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([s:11]1)[C:6](=[O:10])[NH:7][CH2:8][CH2:9]2.[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[CH3:33][OH:34].[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[OH2:35].[OH:12][B:13]([OH:14])[c:15]1[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]1.[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:2]1(-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[cH:3][c:4]2[c:5]([s:11]1)[C:6](=[O:10])[NH:7][CH2:8][CH2:9]2