Bicarbonate Ion → N-(4,4-dimethyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-2-fluoro-nicotinamide

HRID 87480Notes

Reaction equation

HRID 87480 reaction equation
[Cl:30][CH2:31][Cl:32].[F:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[cH:7][cH:8][cH:9][n:10]1.[NH2:11][c:12]1[cH:13][cH:14][c:15]2[c:20]([cH:21]1)[C:19](=[O:22])[NH:18][CH2:17][C:16]2([CH3:23])[CH3:24].[Na+:29].[O-:25][C:26]([OH:27])=[O:28]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:11][c:12]2[cH:13][cH:14][c:15]3[c:20]([cH:21]2)[C:19](=[O:22])[NH:18][CH2:17][C:16]3([CH3:23])[CH3:24])[cH:7][cH:8][cH:9][n:10]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 219595822-Fluoropyridine-3-carbonyl chlorideHCID 219596427-Amino-4,4-dimethyl-3,4-dihydroisoquinolin-1(2h)-one

Product 1

HCID 21959600N-(4,4-dimethyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-2-fluoro-nicotinamide

Sources & evidence

ORD record
ord-c64fbb5830514889a49099a4e68a95a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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