HRID184878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID17211

4-Amino-3-chlorobenzoic acid

C7H6ClNO2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N)c(Cl)c2)CC1

HCID67059646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daa3d03d80904a23ad8e4abef1bd4e02
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

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