HRID89425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

HCID22274547

未命名化合物

PRODUCTS

生成物

结构：CC1CCCN1CCc1cc2cc(-c3ccc(CO)cc3)ccc2o1

HCID22274596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ff539eb0af949b4a941f9985a91d0bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][CH2:11][N:12]3[CH:13]([CH3:17])[CH2:14][CH2:15][CH2:16]3)[o:9]2)[cH:18]1.[C:30](=[O:31])([O-:32])[O-:33].[CH3:42][CH2:43][OH:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Na+:34].[Na+:35].[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[OH:19][CH2:20][c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[Pd+2:51].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([CH2:20][OH:19])[cH:26][cH:25]2)[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][CH2:11][N:12]3[CH:13]([CH3:17])[CH2:14][CH2:15][CH2:16]3)[o:9]2)[cH:18]1