Bicarbonate Ion → 3-(1-cyano-1-methylethyl)-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzamide

HRID 147172

Reaction equation

HRID 147172 reaction equation
[C:13](=[O:14])([O-:15])[OH:16].[C:18](#[N:19])[C:20]([CH3:21])([CH3:22])[c:23]1[cH:24][c:25]([C:26](=[O:27])[Cl:28])[cH:29][cH:30][cH:31]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:9]([F:10])([F:11])[F:12])[c:6]([OH:8])[cH:7]1.[Na+:17].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:9]([F:10])([F:11])[F:12])[c:6]([OH:8])[cH:7]1)[C:26]([c:25]1[cH:24][c:23]([C:20]([C:18]#[N:19])([CH3:21])[CH3:22])[cH:31][cH:30][cH:29]1)=[O:27]

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 159190985-Amino-2-trifluoromethyl-phenolHCID 866319813-(1-Cyano-1-methylethyl)benzoyl chloride

Product 1

HCID 684185013-(1-cyano-1-methylethyl)-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzamide

Sources & evidence

ORD record
ord-3472e9ba75e1471fb10c7e244cf8a9fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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