HRID1213234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID60984

Methyl bromoacetate

C3H5BrO2

结构：CCOC(=O)C(CCc1ccccc1)NC1CN(C)c2ccccc2NC1=O

HCID20442330

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCc1ccccc1)NC1CN(C)c2ccccc2N(CC(=O)OC)C1=O

HCID20442346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a07825fd6bc47358347a6f30f45f744
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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