HRID1543435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7505

Benzonitrile

C7H5N

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID80755

Butyldiphenylphosphine

C16H19P

HCID23005378

[3-(Benzyloxy)-4-chlorophenyl]boronic acid

C13H12BClO3

HCID29983315

Methyl 5-amino-6-bromopyrazine-2-carboxylate

C6H6BrN3O2

PRODUCTS

生成物

结构：COC(=O)c1cnc(N)c(-c2ccc(Cl)c(OCc3ccccc3)c2)n1

HCID66721267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1232b84c9bde4e0d9878110b4347e4a5
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

[C:69](#[N:70])[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[C:77](#[N:78])[c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][c:38]1[cH:39][c:40]([B:45]([OH:46])[OH:47])[cH:41][cH:42][c:43]1[Cl:44].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[CH3:85][CH2:86][OH:87].[NH2:18][c:19]1[n:20][cH:21][c:22]([C:26](=[O:27])[O:28][CH3:29])[n:23][c:24]1[Br:25].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[OH2:61].[Pd:68].[c:1]1([P:2]([CH2:3][CH2:4][CH2:5][CH3:6])[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[NH2:18][c:19]1[n:20][cH:21][c:22]([C:26](=[O:27])[O:28][CH3:29])[n:23][c:24]1-[c:40]1[cH:39][c:38]([O:37][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:43]([Cl:44])[cH:42][cH:41]1