Hydrochloric Acid → Hydrochloric Acid

HRID 1118473Notes

Reaction equation

HRID 1118473 reaction equation
[Br:23][CH2:24][CH2:25][CH2:26][CH3:27].[C:28](=[O:29])([O-:30])[O-:31].[CH2:48]([O:49][CH2:50][CH3:51])[CH3:52].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[ClH:36].[I:34].[K+:32].[K+:33].[K:35].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][N:10]([CH2:11][C:12](=[O:13])[N:14]([CH3:15])[CH3:16])[CH2:17][CH:18]2[CH2:19][O:20][CH2:21][CH2:22]2)[cH:5][cH:6][cH:7]1>>[ClH:36].[O:1]([c:2]1[cH:3][c:4]([CH2:8][CH2:9][N:10]([CH2:11][C:12](=[O:13])[N:14]([CH3:15])[CH3:16])[CH2:17][CH:18]2[CH2:19][O:20][CH2:21][CH2:22]2)[cH:5][cH:6][cH:7]1)[CH2:24][CH2:25][CH2:26][CH3:27]

Participants

12

Reactant 10

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8002Butyl bromideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24841Hydrogen iodideHCID 5462222PotassiumHCID 595968312-[[2-(3-hydroxy-phenyl)-ethyl]-(tetrahydrofuran-3-ylmethyl)amino]-N,N-dimethyl-acetamide

Product 2

HCID 313Hydrochloric AcidHCID 166797262-[2-(3-butoxyphenyl)ethyl-(oxolan-3-ylmethyl)amino]-N,N-dimethylacetamide

Sources & evidence

ORD record
ord-0a4f617ae2054872983172194f874fb5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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