HRID1221559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7622

Tributylamine

C12H27N

HCID12375

Ethylene glycol diethyl ether

C6H14O2

HCID97491

Toluene, alpha-chloro-2,3,4-trimethoxy-

C10H13ClO3

HCID10356330

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c(OC)c1OC

HCID21537809

1-(3,3-Diphenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C29H36N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f8539bb1f794f44b025f6a678fa2687
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:49]([O:50][CH2:51][CH2:52][O:53][CH2:54][CH3:55])[CH3:56].[CH3:22][O:23][c:24]1[c:25]([CH2:26][Cl:27])[cH:28][cH:29][c:30]([O:34][CH3:35])[c:31]1[O:32][CH3:33].[CH3:36][CH2:37][CH2:38][CH2:39][N:40]([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48].[c:1]1([CH:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][N:13]([CH2:26][c:25]3[c:24]([O:23][CH3:22])[c:31]([O:32][CH3:33])[c:30]([O:34][CH3:35])[cH:29][cH:28]3)[CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1