Ammonium → Ethyl 2-(4-chloro-6-fluoro-1-hydroxy-1-indanyl)acetate

HRID 1137326Notes

Reaction equation

HRID 1137326 reaction equation
[CH2:15]([Li:16])[CH2:17][CH2:18][CH3:19].[CH3:1][CH2:2][O:3][C:4]([CH3:5])=[O:6].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH:20]([NH:21][CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[CH:7]([N-:8][CH:9]([CH3:10])[CH3:11])([CH3:12])[CH3:13].[Cl-:39].[Cl:27][c:28]1[c:29]2[c:33]([cH:34][c:35]([F:37])[cH:36]1)[C:32](=[O:38])[CH2:31][CH2:30]2.[Li+:14].[NH4+:40].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:52]>>[CH3:1][CH2:2][O:3][C:4]([CH2:5][C:32]1([OH:38])[CH2:31][CH2:30][c:29]2[c:28]([Cl:27])[cH:36][c:35]([F:37])[cH:34][c:33]21)=[O:6]

Participants

12

Reactant 11

HCID 223AmmoniumHCID 312ChlorideHCID 962WaterHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 5062348DiisopropylamideHCID 197103284-Chloro-6-fluoroindan-1-oneHCID 178418339Butyllithium

Product 1

HCID 10978626Ethyl 2-(4-chloro-6-fluoro-1-hydroxy-1-indanyl)acetate

Sources & evidence

ORD record
ord-7ad62351645c411782fbdb516bc1cbe4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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