HRID215227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57440381

未命名化合物

HCID57440404

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2cc(NC(=O)c3ccc(N4CCN(C)C(C)C4)cc3)[nH]n2)cc(OC)c1

HCID66590060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2431717807fa46428b640ae9a5bb2fa3
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

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