Acetate → Hydrochloric Acid

HRID 2339658Notes

Reaction equation

HRID 2339658 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:18]1[CH2:17][CH2:16][CH2:15][C:14]2=[O:19])=[O:20].[C:26](#[N:27])[BH3-:28].[CH3:22][C:23](=[O:24])[O-:25].[CH3:31][OH:32].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[ClH:30].[NH4+:21].[Na+:29]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:18]1[CH2:17][CH2:16][CH2:15][CH:14]2[NH2:27])=[O:20].[ClH:30]

Participants

11

Reactant 9

HCID 175AcetateHCID 223AmmoniumHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 3283Diethyl EtherHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 59192613Tert-butyl 2-((5-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)oxy)acetate

Product 2

HCID 313Hydrochloric AcidHCID 59192558(5-Amino-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid tert-butyl ester

Sources & evidence

ORD record
ord-d6a31daabf5b47b0b84a9e6aefe06b49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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