HRID687635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：CC(CN(CCCOc1cccc(CC(=O)O)c1)Cc1cccc(C(F)(F)F)c1Cl)c1ccccc1

HCID68816233

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(C)c2ccccc2)c1

HCID68816649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fc97113ce6249e093456a0c35462d55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:38][OH:39].[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([CH2:16][C:17](=[O:18])[OH:19])[cH:13][cH:14][cH:15]2)[CH2:20][CH:21]([CH3:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][c:32]1[C:33]([F:34])([F:35])[F:36].[ClH:37]>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([CH2:16][C:17]([O:18][CH3:38])=[O:19])[cH:13][cH:14][cH:15]2)[CH2:20][CH:21]([CH3:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][c:32]1[C:33]([F:34])([F:35])[F:36]