HRID1573244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID123114

Cyclopropanecarboxaldehyde

C4H6O

HCID2724942

未命名化合物

HCID2757153

1-(2-bromophenyl)piperazine

C10H13BrN2

PRODUCTS

生成物

HCID23142839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-261fdd6146c846d7a44260a88ac17f5c
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[c:3]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1.[C:23]([O:24][BH-:25]([O:26][C:27](=[O:28])[CH3:29])[O:30][C:31](=[O:32])[CH3:33])(=[O:34])[CH3:35].[C:37](=[O:38])([O-:39])[O-:40].[CH3:14][C:15](=[O:16])[OH:17].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:18]1([CH:21]=[O:22])[CH2:19][CH2:20]1.[K+:41].[K+:42].[Na+:36].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[Br:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:21][CH:18]3[CH2:19][CH2:20]3)[CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1