HRID213527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID81626

4-Amino-5-chloro-2-methoxybenzoic acid

C8H8ClNO3

HCID6496941

1-(cyclohexylmethyl)piperidin-4-amine

C12H24N2

PRODUCTS

生成物

结构：COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCCCC2)CC1

HCID20395834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7539e278733d40df86b3ea09c91e1943
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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