HRID699825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID83172

Benzyl succinimido carbonate

C12H11NO5

HCID2757234

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(C(=O)OCc2ccccc2)C1

HCID14555478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68fa70d347534d379c28bdb376281442
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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