HRID195042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID151417

Glycine tert-butyl ester

C6H13NO2

HCID582979

未命名化合物

PRODUCTS

生成物

HCID11020853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd6066ca0fd642288616e730f410c265
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:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([CH2:23][NH2:24])=[O:25].[CH3:1][O:2][C:3](=[O:4])[CH2:5][NH:6][C:7](=[O:8])[CH:9]=[CH:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH3:26][N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:42][C:43]([O:44][CH2:45][CH:46]([CH3:47])[CH3:48])=[O:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH:33][C:34](=[O:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([CH2:23][NH:24][C:34](=[O:33])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:25]