Carbonic Acid → Methyl 4-amino-2-tert-butyl-5-phenyl-1-benzofuran-7-carboxylate

HRID 701978Notes

Reaction equation

HRID 701978 reaction equation
[C:1](=[O:2])([CH3:3])[NH:4][c:5]1[c:6](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:7][c:8]([C:18](=[O:19])[O:20][CH3:21])[c:9]2[c:10]1[cH:11][c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[o:13]2.[C:34](=[O:35])([OH:36])[OH:37].[C:39](=[O:40])([OH:41])[O-:42].[CH3:44][OH:45].[Na+:43].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[OH2:38]>>[NH2:4][c:5]1[c:6](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:7][c:8]([C:18](=[O:19])[O:20][CH3:21])[c:9]2[c:10]1[cH:11][c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[o:13]2

Participants

8

Reactant 7

HCID 767Carbonic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 312751,4-DioxaneHCID 68587572HCID 68587572, compound

Product 1

HCID 68584743Methyl 4-amino-2-tert-butyl-5-phenyl-1-benzofuran-7-carboxylate

Sources & evidence

ORD record
ord-893ec725fdcc43e1b1d6dbaab16e5957
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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