HRID146442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(O)n(-c3ccccc3)n2)CC1

HCID178473374

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1cc(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OCC)CC2)nn1-c1ccccc1

HCID66920010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a44f7e5baece4791a004c67c8ee4556c
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

[C:39](=[O:40])([O-:41])[O-:42].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:29]([OH:31])[cH:30]2)=[O:38])[CH2:10][CH2:11]1.[CH2:45]([CH3:46])[O:47][C:48]([CH2:49][Br:50])=[O:51].[Cs+:43].[Cs+:44].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:29]([O:31][CH2:49][C:48]([O:47][CH2:45][CH3:46])=[O:51])[cH:30]2)=[O:38])[CH2:10][CH2:11]1