HRID1114931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

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

HCID58466459

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)ccc4c(N)nn(C)c34)ccc2n1

HCID58942262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d07d3a33b02455091c70cf1f1983335
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:14][NH:15][c:16]1[n:17][c:18]2[cH:19][cH:20][c:21]([B:26]3[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]3)[cH:22][c:23]2[cH:24][n:25]1.[I:1][c:2]1[c:3]([CH3:13])[cH:4][cH:5][c:6]2[c:7]([NH2:12])[n:8][n:9]([CH3:11])[c:10]12.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([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)[cH:122][cH:123]1>>[c:2]1(-[c:21]2[cH:20][cH:19][c:18]3[n:17][c:16]([NH:15][CH3:14])[n:25][cH:24][c:23]3[cH:22]2)[c:3]([CH3:13])[cH:4][cH:5][c:6]2[c:7]([NH2:12])[n:8][n:9]([CH3:11])[c:10]12