HRID1575566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7052

2,4-Dimethoxybenzoic acid

C9H10O4

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID14425929

1-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl}methanamine

C13H20N2O

PRODUCTS

生成物

结构：COc1ccc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)c(OC)c1

HCID15136970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdae3efc6c5f457580a1b0614381a296
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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