HRID90144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID107604

Methyl 4-bromobutyrate

C5H9BrO2

HCID57447741

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCOc1c(Cl)ccc2c1CCN(C(=O)OC(C)(C)C)CC2

HCID66706736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c024c629ef454f5fbb3c179e550bd7c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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