Bicarbonate Ion → 3-cyano-N-[2-(4-cyanophenyl)-4-oxobutyl]-N-methyl-1-naphthamide

HRID 193194Notes

Reaction equation

HRID 193194 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:13](=[O:14])[N:15]([CH3:16])[CH2:17][CH:18]([CH2:19][CH2:20][OH:21])[c:22]2[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[cH:12]1.[Cl:37][CH2:38][Cl:39].[Na+:35].[Na+:36].[Na+:44].[O-:40][C:41]([OH:42])=[O:43].[S:30]([O-:31])([O-:32])(=[O:33])=[S:34]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:13](=[O:14])[N:15]([CH3:16])[CH2:17][CH:18]([CH2:19][CH:20]=[O:21])[c:22]2[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[cH:12]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 689764513-cyano-N-[2-(4-cyanophenyl)-4-hydroxybutyl]-N-methyl-1-naphthamide

Product 1

HCID 112690383-cyano-N-[2-(4-cyanophenyl)-4-oxobutyl]-N-methyl-1-naphthamide

Sources & evidence

ORD record
ord-8bbefe495ab64f28a64fa649abc19ccc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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