HRID94996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID67709

1,1,1-Trifluoro-2-iodoethane

C2H2F3I

HCID166653

Hydride

H-

结构：CCOC(=O)Cc1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1

HCID57995626

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CC(F)(F)F)c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1

HCID57995541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c479b135e4ac4b728ae752acbe8d1e95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:3][c:4]1[cH:5][c:6]([CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:7][c:8](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[c:9]1[O:10][CH2:11][CH:12]1[CH2:13][CH2:14]1.[ClH:37].[F:31][C:32]([CH2:33][I:34])([F:35])[F:36].[H-:2].[Na+:1].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43]>>[Cl:3][c:4]1[cH:5][c:6]([CH:25]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH2:33][C:32]([F:31])([F:35])[F:36])[cH:7][c:8](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[c:9]1[O:10][CH2:11][CH:12]1[CH2:13][CH2:14]1