HRID205814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

HCID178440085

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)C(C)(C)C)[nH]1

HCID178440080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-575d712ff79e43b5b4f0cbef862bef57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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