HRID287168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID59161636

未命名化合物

PRODUCTS

生成物

结构：CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1

HCID57876005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-283612bfaab042cfa975822a33f1f69c
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

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