HRID197413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57440381

未命名化合物

HCID66589763

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2cc(NC(=O)c3ccc(N4CC5CCCNC5C4)cc3)[nH]n2)cc(OC)c1

HCID66589714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d58b2463fc34d79a2d7223d4d313d71
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

[CH3:20][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.[CH3:39][Al:40]([CH3:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[ClH:38].[NH:1]1[CH:2]2[CH:3]([CH2:4][CH2:5][CH2:6]1)[CH2:7][N:8]([c:10]1[cH:11][cH:12][c:13]([C:14]([O:16][CH3:15])=[O:17])[cH:18][cH:19]1)[CH2:9]2>>[NH:1]1[CH:2]2[CH:3]([CH2:4][CH2:5][CH2:6]1)[CH2:7][N:8]([c:10]1[cH:11][cH:12][c:13]([C:14](=[O:16])[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]1)[CH2:9]2