HRID2163067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID18425301

Ethyl 4-(1,4-diazepan-1-yl)benzoate

C14H20N2O2

HCID178489815

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCc2cc(NC(=O)c3ccc(N4CCCNCC4)cc3)[nH]n2)cc(OC)c1

HCID178489760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b73c0729c714203a4326ca02c280123
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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