HRID191478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57781922

未命名化合物

HCID178489815

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(c2ccc(C(=O)Nc3cc(CCc4cc(OC)cc(OC)c4)n[nH]3)cc2)CC1

HCID178462658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4fe404f1320456c903daab5e9b39442
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

[CH2:23]([CH3:24])[N:25]1[CH2:26][CH2:27][N:28]([c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]2)[CH2:29][CH2:30]1.[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][OH:50].[CH3:5][O:6][c:7]1[cH:8][c:9]([CH2:15][CH2:16][c:17]2[cH:18][c:19]([NH2:22])[nH:20][n:21]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1.[ClH:41]>>[CH3:5][O:6][c:7]1[cH:8][c:9]([CH2:15][CH2:16][c:17]2[cH:18][c:19]([NH:22][C:35]([c:34]3[cH:33][cH:32][c:31]([N:28]4[CH2:27][CH2:26][N:25]([CH2:23][CH3:24])[CH2:30][CH2:29]4)[cH:40][cH:39]3)=[O:36])[nH:20][n:21]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1