HRID1559986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2774010

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

C9H15BN2O2

结构：CC(C)c1ncnn1-c1nc2c(s1)CCOc1cc(Br)ccc1-2

HCID57900120

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ncnn1-c1nc2c(s1)CCOc1cc(-c3cn[nH]c3)ccc1-2

HCID53235215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba6ec70c91104403aa5245b7d26ff761
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7][c:8](-[n:14]3[n:15][cH:16][n:17][c:18]3[CH:19]([CH3:20])[CH3:21])[s:9][c:10]1[CH2:11][CH2:12][O:13]2.[CH3:24][C:25]1([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30][B:31]([c:32]2[cH:33][n:34][nH:35][cH:36]2)[O:37]1.[CH3:44][C:45]#[N:46].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:47].[Pd:54].[c:112]1([P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127][cH:128][cH:129][cH:130]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[c:2]1(-[c:32]2[cH:33][n:34][nH:35][cH:36]2)[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7][c:8](-[n:14]3[n:15][cH:16][n:17][c:18]3[CH:19]([CH3:20])[CH3:21])[s:9][c:10]1[CH2:11][CH2:12][O:13]2