HRID2153054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：CC1CN(C(=O)COc2ccc(Cl)cc2C(=O)O)C(C)CN1Cc1ccc(F)cc1

HCID22264662

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)COc2ccc(Cl)cc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C(C)CN1Cc1ccc(F)cc1

HCID178430723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf0760de3e6e4a3c971f3a2e40e2a962
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH3:42].[CH3:59][N:60]([CH3:61])[c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:11][CH2:12][C:13](=[O:14])[N:15]2[CH:16]([CH3:30])[CH2:17][N:18]([CH2:22][c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[CH:19]([CH3:21])[CH2:20]2)[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[Cl:56][CH2:57][Cl:58].[ClH:31].[N:43]1([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:11][CH2:12][C:13](=[O:14])[N:15]2[CH:16]([CH3:30])[CH2:17][N:18]([CH2:22][c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[CH:19]([CH3:21])[CH2:20]2)[c:6]([C:7](=[O:9])[N:46]2[CH2:45][CH2:44][N:43]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:48][CH2:47]2)[cH:10]1