HRID697003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID151417

Glycine tert-butyl ester

C6H13NO2

HCID21958048

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CNC(=O)c1ccc(NC(=O)OCc2ccccc2)c(Cl)c1

HCID21958029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0f116a6d28747bb828c72745d50d34f
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

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