HRID291474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21085830

3-(Ethoxycarbonyl)-5-methylbenzoic acid

C11H12O4

HCID21087152

N-[4-(benzyloxy)butyl]-N-propylamine

C14H23NO

PRODUCTS

生成物

结构：CCCN(CCCCOCc1ccccc1)C(=O)c1cc(C)cc(C(=O)OCC)c1

HCID21086098

Ethyl 3-{[[4-(benzyloxy)butyl](propyl)amino]carbonyl}-5-methylbenzoate

C25H33NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4e2739b0415422cb940e94f7d00a019
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

[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[c:22]1[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][c:29]([CH3:31])[cH:30]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][CH2:12][NH:13][CH2:14][CH2:15][CH3:16].[CH2:49]([Cl:50])[CH2:51][Cl:52].[CH3:42][N:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][CH2:12][N:13]([CH2:14][CH2:15][CH3:16])[C:25]([c:24]1[cH:23][c:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[cH:30][c:29]([CH3:31])[cH:28]1)=[O:27]