HRID162964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID80604

Cyclohexanamine, 4-methyl-

C7H15N

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID738389

7-chloro-4-(piperazin-1-yl)quinoline

C13H14ClN3

PRODUCTS

生成物

结构：CC1CCC(NC(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)CC1

HCID21101730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a254bb2c98f1426093c5a3e40a4a9253
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][CH:2]1[CH2:3][CH2:4][CH:5]([NH2:8])[CH2:6][CH2:7]1.[CH3:9][CH:10]1[CH2:11][CH2:12][CH:13]([NH2:14])[CH2:15][CH2:16]1.[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:17][C:18](=[O:19])[O:20][c:21]1[cH:22][cH:23][c:24]([N+:25]([O-:26])=[O:27])[cH:28][cH:29]1.[Cl:39][c:40]1[cH:41][cH:42][c:43]2[c:44]([N:50]3[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]3)[cH:45][cH:46][n:47][c:48]2[cH:49]1>>[CH3:1][CH:2]1[CH2:3][CH2:4][CH:5]([NH:8][C:18](=[O:19])[N:53]2[CH2:52][CH2:51][N:50]([c:44]3[c:43]4[cH:42][cH:41][c:40]([Cl:39])[cH:49][c:48]4[n:47][cH:46][cH:45]3)[CH2:55][CH2:54]2)[CH2:6][CH2:7]1