HRID159739

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7616

Tripropylamine

C9H21N

HCID31275

1,4-Dioxane

C4H8O2

HCID13488376

4-Chloro-1-methylquinazolin-2(1H)-one

C9H7ClN2O

HCID13767778

3-[4-(Diphenylmethyl)piperazin-1-yl]propan-1-amine

C20H27N3

PRODUCTS

生成物

结构：Cn1c(=O)nc(NCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21

HCID13488379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3b12a97d7374dd1add41012740e9ccf
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

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