HRID695051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CC1(C)OB(c2ccc3cn(Cc4ccccc4)nc3c2)OC1(C)C

HCID58529313

未命名化合物

HCID58529865

5-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine

C6H5BrN4

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：Nc1ncnn2ccc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

HCID58529351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ccc27d8bcb34e44b2215049f16a5c9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][n:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[C:37](=[O:38])([O-:39])[O-:40].[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[n:19]1[n:20][c:21]2[cH:22][c:23]([B:28]3[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]3)[cH:24][cH:25][c:26]2[cH:27]1.[Na+:41].[Na+:42].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:43].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([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)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([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)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[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)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1(-[c:23]2[cH:22][c:21]3[n:20][n:19]([CH2:12][c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)[cH:27][c:26]3[cH:25][cH:24]2)[cH:3][cH:4][n:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12