HRID161478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID259091

Ethyl 5-bromo-1H-indole-2-carboxylate

C11H10BrNO2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2[nH]1

HCID57419913

Ethyl 5-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylate

C18H14F3NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06aefceca911486ca9835d86e111bcb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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