Bicarbonate Ion → Dimethylcarbamic acid 3-(3-amino-2-fluorobenzyl)-4-fluoromethyl-2-oxo-2H-1-benzopyran-7-yl ester

HRID 1557531Notes

Reaction equation

HRID 1557531 reaction equation
[C:36](=[O:37])([O-:38])[OH:39].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[F:1][CH2:2][c:3]1[c:4]([CH2:20][c:21]2[c:22]([F:30])[c:23]([N+:27]([O-:28])=[O:29])[cH:24][cH:25][cH:26]2)[c:5](=[O:19])[o:6][c:7]2[c:8]1[cH:9][cH:10][c:11]([O:13][C:14]([N:15]([CH3:16])[CH3:17])=[O:18])[cH:12]2.[Na+:40].[OH2:31].[OH2:32].[Sn:33]([Cl:34])[Cl:35]>>[F:1][CH2:2][c:3]1[c:4]([CH2:20][c:21]2[c:22]([F:30])[c:23]([NH2:27])[cH:24][cH:25][cH:26]2)[c:5](=[O:19])[o:6][c:7]2[c:8]1[cH:9][cH:10][c:11]([O:13][C:14]([N:15]([CH3:16])[CH3:17])=[O:18])[cH:12]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962Water2×HCID 8857Ethyl AcetateHCID 24479Stannous ChlorideHCID 59139149HCID 59139149, compound

Product 1

HCID 59139194Dimethylcarbamic acid 3-(3-amino-2-fluorobenzyl)-4-fluoromethyl-2-oxo-2H-1-benzopyran-7-yl ester

Sources & evidence

ORD record
ord-ce2301b178344750b7e6a8fa686c900e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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