HRID828344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)c1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1

HCID10993963

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57456614

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1

HCID23506078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddfd979f8d164acf8a854e9571beaf9c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:2][NH:3][CH3:4].[CH3:41][N:42]([Al:43][CH2:44][Cl:45])[CH3:46].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:5][Al:6]([CH3:7])[CH3:8].[ClH:1].[O:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[c:16]1[cH:17][c:18]([N:22]([CH2:23][CH:24]([C:25]([F:26])([F:27])[F:28])[OH:29])[CH2:30][c:31]2[cH:32][c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39][cH:40]2)[cH:19][cH:20][cH:21]1>>[CH3:2][N:3]([CH3:4])[C:34]([c:33]1[cH:32][c:31]([CH2:30][N:22]([c:18]2[cH:17][c:16]([O:9][c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[cH:21][cH:20][cH:19]2)[CH2:23][CH:24]([C:25]([F:26])([F:27])[F:28])[OH:29])[cH:40][cH:39][cH:38]1)=[O:35]