HRID681392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID947

Nitrogen

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2773987

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

HCID59341844

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cnc3nnn(Cc4ccc5c(c4)CCO5)c3n2)cn1

HCID59341790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d80366fc2029439295710deafeb4fe7c
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][n:4][c:5]2[c:6]([n:7]1)[n:8]([CH2:11][c:12]1[cH:13][cH:14][c:15]3[c:16]([cH:20]1)[CH2:17][CH2:18][O:19]3)[n:9][n:10]2.[CH3:21][n:22]1[n:23][cH:24][c:25]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:26]1.[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[N:42]#[N:43].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:50].[Pd:51]([Cl:52])[Cl:53].[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:2]1(-[c:25]2[cH:24][n:23][n:22]([CH3:21])[cH:26]2)[cH:3][n:4][c:5]2[c:6]([n:7]1)[n:8]([CH2:11][c:12]1[cH:13][cH:14][c:15]3[c:16]([cH:20]1)[CH2:17][CH2:18][O:19]3)[n:9][n:10]2