HRID283375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2737170

ethyl 2,4-difluorobenzoate

C9H8F2O2

HCID11424042

2-methyl-3-tert-butoxycarbonylaminopropanol

C9H19NO3

结构：CCOC(=O)c1ccc(F)cc1OCC(C)CNC(=O)OC(C)(C)C

HCID68535248

未命名化合物

PRODUCTS

生成物

结构：CC(CNC(=O)OC(C)(C)C)COc1cc(F)ccc1C(=O)O

HCID68532439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86c371f6f5c8423a8e63903b1030ade8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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