HRID119116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID77448

5-(Chloromethyl)-1,2,3-trimethoxybenzene

C10H13ClO3

HCID10356330

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：COc1cc(CN2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC

HCID21537806

1-(3,3-Diphenylpropyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

C29H36N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62d8b4203a6b464aa51b9ddeedeaf475
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:22][O:23][c:24]1[cH:25][c:26]([CH2:27][Cl:28])[cH:29][c:30]([O:34][CH3:35])[c:31]1[O:32][CH3:33].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[ClH:36].[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>>[ClH:28].[ClH:36].[c:1]1([CH:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][N:13]([CH2:27][c:26]3[cH:25][c:24]([O:23][CH3:22])[c:31]([O:32][CH3:33])[c:30]([O:34][CH3:35])[cH:29]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