HRID1216547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID1472668

Methyl 4-(4-methylpiperazin-1-yl)benzoate

C13H18N2O2

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID178485326

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cccc(CCc2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1

HCID178485325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25093b77339046429d53b8a93bf76647
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:23][N:24]1[CH2:25][CH2:26][N:27]([c:30]2[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39]2)[CH2:28][CH2:29]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][OH:49].[ClH:40].[NH2:5][c:6]1[cH:7][c:8]([CH2:11][CH2:12][c:13]2[cH:14][c:15]([C:16](=[O:17])[NH:18][CH3:19])[cH:20][cH:21][cH:22]2)[n:9][nH:10]1>>[NH:5]([c:6]1[cH:7][c:8]([CH2:11][CH2:12][c:13]2[cH:14][c:15]([C:16](=[O:17])[NH:18][CH3:19])[cH:20][cH:21][cH:22]2)[n:9][nH:10]1)[C:34]([c:33]1[cH:32][cH:31][c:30]([N:27]2[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]2)[cH:39][cH:38]1)=[O:35]