HRID942748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID95320

2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin

C9H9ClO2

结构：CC(C)(C)OC(=O)N1CCN(c2ncc[nH]c2=O)CC1

HCID59013892

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2nccn(CC3COc4ccccc4O3)c2=O)CC1

HCID69364793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca63d2e399954299ad7deb9c4591b53f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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