Bicarbonate Ion → (2-Amino-4-hydroxy-5-methoxy-phenyl)-(4-isopropyl-phenyl)-methanone

HRID 186840

Reaction equation

HRID 186840 reaction equation
[C:32](=[O:33])([OH:34])[O-:35].[CH2:23]([S-:24])[CH3:25].[NH2:1][c:2]1[c:3]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH:20]([CH3:21])[CH3:22])[cH:18][cH:19]2)[cH:4][c:5]([O:10][CH3:11])[c:6]([O:8][CH3:9])[cH:7]1.[Na+:26].[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[OH2:36]>>[NH2:1][c:2]1[c:3]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH:20]([CH3:21])[CH3:22])[cH:18][cH:19]2)[cH:4][c:5]([O:10][CH3:11])[c:6]([OH:8])[cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 12688643ThioethoxideHCID 59259172(2-Amino-4,5-dimethoxy-phenyl)-(4-isopropyl-phenyl)-methanone

Product 1

HCID 59259050(2-Amino-4-hydroxy-5-methoxy-phenyl)-(4-isopropyl-phenyl)-methanone

Sources & evidence

ORD record
ord-1c8e9707ca8e4a819f469c075ee26425
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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