HRID1544325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID736918

4-(Tert-butoxycarbonylaminomethyl)cyclohexanecarboxylic acid

C13H23NO4

HCID135736054

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1)C2

HCID136128395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e1a602c05534818873a01ce50b4f10a
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

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