HRID103463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID2761178

ethyl 4-(piperazin-1-yl)benzoate

C13H18N2O2

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57453934

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(CCc2cc(NC(=O)c3ccc(N4CCNCC4)cc3)n(C(C)(C)C)n2)c1

HCID66589920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d7a2248bebe4a388a8466fbb983c2d0
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

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