Hydrochloric Acid → Hydrochloric Acid

HRID 1147445Notes

Reaction equation

HRID 1147445 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5]([CH:9]=[CH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:6][cH:7][cH:8]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:18][NH:19][CH2:20][CH:21]=[CH:22][C:23]#[C:24][C:25]([CH3:26])([CH3:27])[CH3:28].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[ClH:17].[K+:33].[K+:34].[OH2:40]>>[CH2:2]([c:3]1[cH:4][c:5]([CH:9]=[CH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:6][cH:7][cH:8]1)[N:19]([CH3:18])[CH2:20][CH:21]=[CH:22][C:23]#[C:24][C:25]([CH3:26])([CH3:27])[CH3:28].[ClH:17]

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 53427009N,6,6-trimethylhept-2-en-4-yn-1-amineHCID 542730343-(2-Phenyl-vinyl)-benzyl bromide

Product 2

HCID 313Hydrochloric AcidHCID 54389254N,6,6-trimethyl-N-[[3-(2-phenylethenyl)phenyl]methyl]hept-2-en-4-yn-1-amine

Sources & evidence

ORD record
ord-6c46c86e158e4fe890ac479ff5f34349
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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