HRID293602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID4198743

5-Cyanothiophene-2-boronic acid

C5H4BNO2S

HCID11710015

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccc(-c3ccc(C#N)s3)cc2)nc1CCN1CCCC1C

HCID73072028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da50b89652e84a5a89b27afe1cf2ab5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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