Chloride → N-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropanamide

HRID 140844Notes

Reaction equation

HRID 140844 reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])(=[O:34])[Cl:35].[CH2:44]([OH:45])[CH3:46].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:36][CH2:37][OH:38].[Cl-:3].[Cl:4][c:5]1[cH:6][cH:7][c:8]([N+:13]([O-:14])=[O:15])[c:9]([O:11][CH3:12])[cH:10]1.[Na+:20].[Na+:21].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:1].[OH2:2]>>[Cl:4][c:5]1[cH:6][cH:7][c:8]([NH:13][C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[c:9]([O:11][CH3:12])[cH:10]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 702Ethanol2×HCID 923Sodium ion2×HCID 962Water2×HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 19660Carbonate IonHCID 62493Pivaloyl chlorideHCID 811105-Chloro-2-nitroanisole

Product 1

HCID 4597726N-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropanamide

Sources & evidence

ORD record
ord-b425b3ec766c472c8cb8e6549713fa72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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