HRID292500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID72971

4-Butoxybenzoic acid

C11H14O3

HCID67022805

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1ccc(C(=O)NC2CCC(OC(C)=O)CC2c2ccc(OC)c(OC)c2)cc1

HCID86601276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-567f324dcfda48b49bfedfae92d0a641
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

[CH2:22]([CH2:23][CH2:24][CH3:25])[O:26][c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35]1.[CH2:37]([N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46])[CH3:47].[CH3:49][N:50]([CH3:51])[c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1.[Cl:58][CH2:59][Cl:60].[ClH:36].[NH2:1][CH:2]1[CH:3]([c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[CH2:4][CH:5]([O:8][C:9]([CH3:10])=[O:11])[CH2:6][CH2:7]1.[OH2:48]>>[NH:1]([CH:2]1[CH:3]([c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[CH2:4][CH:5]([O:8][C:9]([CH3:10])=[O:11])[CH2:6][CH2:7]1)[C:31]([c:30]1[cH:29][cH:28][c:27]([O:26][CH2:22][CH2:23][CH2:24][CH3:25])[cH:35][cH:34]1)=[O:32]