HRID192379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2899

Cycloheptanamine

C7H15N

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：O=C(NC1CCCCCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1

HCID21101799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53da8f586e8d4a8d8066be83ee85b39f
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

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