HRID160853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID4574913

未命名化合物

HCID9906257

tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate

C18H19BrO2

HCID178470390

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C(C)(C)O)nc(CC)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

HCID10672775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3f3dc57c6784c45ad9673c50d484d3d
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

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