HRID88227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：CNc1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

HCID16086139

N-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine

C15H20BN3O2

结构：Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)c(F)c1I

HCID58829750

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：CNc1ncc2cc(-c3c(C)ccc(C(=O)Nc4cccc(OC(C)C)c4)c3F)ccc2n1

HCID58829058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-513b64777c444ebcad69ac2129b5c768
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:23][NH:24][c:25]1[n:26][c:27]2[cH:28][cH:29][c:30]([B:35]3[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]3)[cH:31][c:32]2[cH:33][n:34]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][c:9]([O:13][CH:14]([CH3:15])[CH3:16])[cH:10][cH:11][cH:12]2)[cH:17][cH:18][c:19]([CH3:22])[c:20]1[I:21].[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][c:9]([O:13][CH:14]([CH3:15])[CH3:16])[cH:10][cH:11][cH:12]2)[cH:17][cH:18][c:19]([CH3:22])[c:20]1-[c:30]1[cH:29][cH:28][c:27]2[n:26][c:25]([NH:24][CH3:23])[n:34][cH:33][c:32]2[cH:31]1