HRID123712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

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：Cc1nc(Nc2cccc(OC(F)(F)F)c2)c2ccc(C)c(I)c2n1

HCID67338962

未命名化合物

PRODUCTS

生成物

结构：CNc1ncc2cc(-c3c(C)ccc4c(Nc5cccc(OC(F)(F)F)c5)nc(C)nc34)ccc2n1

HCID24863588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93e113c200ff4afeb4dea1534133743c
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

[CH3:26][NH:27][c:28]1[n:29][c:30]2[cH:31][cH:32][c:33]([B:38]3[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]3)[cH:34][c:35]2[cH:36][n:37]1.[I:1][c:2]1[c:3]([CH3:25])[cH:4][cH:5][c:6]2[c:7]([NH:13][c:14]3[cH:15][c:16]([O:20][C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19]3)[n:8][c:9]([CH3:12])[n:10][c:11]12.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[O:130]1[CH2:131][CH2:132][O:133][CH2:134][CH2:135]1.[Pd:53].[c:111]1([P:112]([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)[cH:125][cH:126][cH:127][cH:128][cH:129]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]3[n:29][c:28]([NH:27][CH3:26])[n:37][cH:36][c:35]3[cH:34]2)[c:3]([CH3:25])[cH:4][cH:5][c:6]2[c:7]([NH:13][c:14]3[cH:15][c:16]([O:20][C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19]3)[n:8][c:9]([CH3:12])[n:10][c:11]12