HRID1214596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6497

Dimethyl sulfate

C2H6O4S

HCID8028

Tetrahydrofuran

C4H8O

HCID17208

Benzyltriethylammonium

C13H22N+

结构：CC(C)(C)OC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1O

HCID57525701

未命名化合物

PRODUCTS

生成物

结构：COC1CN(C(=O)OCc2ccccc2)CCC1NC(=O)OC(C)(C)C

HCID68624073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cee83e81e1164c59bbd448d03b7420a6
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

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