Ethyl Acetate → Chloride

HRID 1566152Notes

Reaction equation

HRID 1566152 reaction equation
[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[N:11]12[CH2:12][CH:13]([NH:19][C:20]([O:21][CH:22]([c:23]3[cH:24][c:25]([F:29])[cH:26][cH:27][cH:28]3)[c:30]3[cH:31][c:32]([F:36])[cH:33][cH:34][cH:35]3)=[O:37])[CH:14]([CH2:15][CH2:16]1)[CH2:17][CH2:18]2>>[CH2:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N+:11]12[CH2:12][CH:13]([NH:19][C:20]([O:21][CH:22]([c:23]3[cH:24][c:25]([F:29])[cH:26][cH:27][cH:28]3)[c:30]3[cH:31][c:32]([F:36])[cH:33][cH:34][cH:35]3)=[O:37])[CH:14]([CH2:15][CH2:16]1)[CH2:17][CH2:18]2.[Cl-:1]

Participants

5

Reactant 3

HCID 8857Ethyl AcetateHCID 107572-ChloroacetophenoneHCID 70925809bis(3-fluorophenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate

Product 2

HCID 312ChlorideHCID 89106402HCID 89106402, compound

Sources & evidence

ORD record
ord-8e397326dc09427a9bede25f1cba2240
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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