HRID191467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID49758871

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C13H17BN2O2

结构：O=C(Nc1ccccc1)Nc1ccc(-c2nn(CC(F)(F)F)cc2Br)cc1

HCID68995186

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1)Nc1ccc(-c2nn(CC(F)(F)F)cc2-c2ccnc3[nH]ccc23)cc1

HCID46888609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0aa41a21f364100ba4923d7f7513991
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[c:3](-[c:12]2[cH:13][cH:14][c:15]([NH:18][C:19](=[O:20])[NH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:16][cH:17]2)[n:4][n:5]([CH2:7][C:8]([F:9])([F:10])[F:11])[cH:6]1.[C:46](=[O:47])([OH:48])[O-:49].[CH3:128][N:129]([CH3:130])[CH:131]=[O:132].[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[c:37]3[c:38]([n:39][cH:40][cH:41]2)[nH:42][cH:43][cH:44]3)[O:45]1.[Na+:50].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([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)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[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)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:36]2[c:37]3[c:38]([n:39][cH:40][cH:41]2)[nH:42][cH:43][cH:44]3)[c:3](-[c:12]2[cH:13][cH:14][c:15]([NH:18][C:19](=[O:20])[NH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:16][cH:17]2)[n:4][n:5]([CH2:7][C:8]([F:9])([F:10])[F:11])[cH:6]1