Acetate → Hydrochloric Acid

HRID 102146Notes

Reaction equation

HRID 102146 reaction equation
[C:33]([CH3:34])([CH3:35])([CH3:36])[C:37]#[CH:38].[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[CH2:28]([NH2:29])[CH2:30][CH2:31][CH3:32].[Cl:2][CH:3]=[CH:4][CH2:5][NH:6][CH2:7][CH3:8].[ClH:1].[Cu:39][I:40].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[Pd+2:45].[c:9]1([P:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH:3](=[CH:4][CH2:5][NH:6][CH2:7][CH3:8])[C:38]#[C:37][C:33]([CH3:34])([CH3:35])[CH3:36].[ClH:2]

Participants

11

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 8007ButylamineHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 135123,3-Dimethyl-1-butyneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 536427313-chloro-N-ethylprop-2-en-1-amine

Product 2

HCID 313Hydrochloric AcidHCID 54127829N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine

Sources & evidence

ORD record
ord-219aa06cfd1a40368b1a18845c64bae2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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