HRID937521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate Ion

CO3-2

HCID58540112

N-(2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide

C21H25BFNO3S

HCID58540403

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID58539996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fa2c607620724ac2bfb83cfe4debd29b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[cH:11][cH:12][c:13]([N:16]3[C:17](=[O:29])[CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[cH:14][n:15]2)[c:5](=[O:8])[nH:6][n:7]1.[ClH:64].[F:30][c:31]1[c:32]([NH:46][C:47](=[O:48])[c:49]2[cH:50][c:51]3[c:52]([s:53]2)[CH2:54][CH2:55][CH2:56][CH2:57]3)[cH:33][c:34]([B:37]2[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]2)[cH:35][cH:36]1.[Na+:58].[Na+:59].[O-:60][C:61](=[O:62])[O-:63].[O:143]=[CH:144][N:145]([CH3:146])[CH3:147].[OH2:142].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[c:2]1(-[c:34]2[cH:33][c:32]([NH:46][C:47](=[O:48])[c:49]3[cH:50][c:51]4[c:52]([s:53]3)[CH2:54][CH2:55][CH2:56][CH2:57]4)[c:31]([F:30])[cH:36][cH:35]2)[cH:3][c:4]([NH:9][c:10]2[cH:11][cH:12][c:13]([N:16]3[C:17](=[O:29])[CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[cH:14][n:15]2)[c:5](=[O:8])[nH:6][n:7]1