Hydrochloric Acid → Ethyl 4-[(3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl)amino]butanoate

HRID 1132336

Reaction equation

HRID 1132336 reaction equation
[CH3:29][CH2:30][OH:31].[ClH:17].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:16]1)[O:9][C:10]([CH3:14])([CH3:15])[CH:11]1[CH:12]2[O:13]1.[NH2:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26].[Na+:28].[OH-:27]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:16]1)[O:9][C:10]([CH3:14])([CH3:15])[CH:11]([OH:13])[CH:12]2[NH:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 23365gamma-Aminobutyric acid ethyl esterHCID 132229227-Nitro-3,4-dihydro-2,2-dimethyl-3,4-epoxy-2H-benzo[b]pyran

Product 1

HCID 13704334Ethyl 4-[(3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl)amino]butanoate

Sources & evidence

ORD record
ord-f676b1f85c4945b9b9b551e42096d84c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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