Ammonium → Benzyl {2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1,1-dimethylethyl}carbamate

HRID 2135769Notes

Reaction equation

HRID 2135769 reaction equation
[Br-:1].[CH2:2]([Mg+:3])[CH3:4].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:20][C:21]([CH:22]=[O:23])([CH3:24])[NH:25][C:26]([O:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)=[O:35].[Cl-:36].[I:5][c:6]1[cH:7][c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1.[NH4+:37].[OH2:43]>>[c:6]1([CH:22]([C:21]([CH3:20])([CH3:24])[NH:25][C:26]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)=[O:35])[OH:23])[cH:7][c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 962WaterHCID 8028TetrahydrofuranHCID 6309701-Iodo-3,5-bis(trifluoromethyl)benzeneHCID 14578675(1,1-Dimethyl-2-oxoethyl)carbamic acid benzyl esterHCID 178461628HCID 178461628, compound

Product 1

HCID 53363830Benzyl {2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1,1-dimethylethyl}carbamate

Sources & evidence

ORD record
ord-0a240e6f8a0f4e669401cc5142f03ebf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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