HRID136613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID76804

4-(Trifluoromethyl)benzylamine

C8H8F3N

HCID68872970

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1COc1cccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)c1

HCID68871490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2aac7f311fdf47449a2907bb367d6194
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:35]([Cl:36])[CH2:37][Cl:38].[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][O:8][c:9]2[cH:10][c:11]([CH2:15][C:16](=[O:17])[OH:18])[cH:12][cH:13][cH:14]2)[cH:19][cH:20][cH:21][cH:22]1.[CH3:43][N:44]([c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1)[CH3:51].[Cl:40][CH2:41][Cl:42].[ClH:39].[F:23][C:24]([c:25]1[cH:26][cH:27][c:28]([CH2:29][NH2:30])[cH:31][cH:32]1)([F:33])[F:34].[OH2:52]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][O:8][c:9]2[cH:10][c:11]([CH2:15][C:16](=[O:18])[NH:30][CH2:29][c:28]3[cH:27][cH:26][c:25]([C:24]([F:23])([F:33])[F:34])[cH:32][cH:31]3)[cH:12][cH:13][cH:14]2)[cH:19][cH:20][cH:21][cH:22]1