HRID171236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID4574913

未命名化合物

结构：CCOC(=O)C1(CCNc2ccc(Br)cc2C)CCN(C(=O)OC(C)(C)C)CC1

HCID67421698

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Br)ccc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

HCID58478451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb9adfcf34f8453a95efc77812f0c916
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]([O:2][C:4](=[O:5])[C:6]1([CH2:19][CH2:20][NH:21][c:22]2[c:23]([CH3:29])[cH:24][c:25]([Br:28])[cH:26][cH:27]2)[CH2:7][CH2:8][N:9]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:10][CH2:11]1)[CH3:3].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[Cl:42][CH2:43][Cl:44].[K+:35].[OH2:36]>>[C:4]1(=[O:5])[C:6]2([CH2:7][CH2:8][N:9]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:10][CH2:11]2)[CH2:19][CH2:20][N:21]1[c:22]1[c:23]([CH3:29])[cH:24][c:25]([Br:28])[cH:26][cH:27]1