Hydrochloric Acid → Hydrochloric Acid

HRID 1117674Notes

Reaction equation

HRID 1117674 reaction equation
[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[ClH:1].[N:2]12[CH2:3][CH:4]([CH2:10][C:11](=[O:12])[NH:13][c:14]3[cH:15][cH:16][c:17]([Br:20])[cH:18][cH:19]3)[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[OH:21][B:22]([OH:23])[c:24]1[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]1>>[ClH:1].[N:2]12[CH2:3][CH:4]([CH2:10][C:11](=[O:12])[NH:13][c:14]3[cH:15][cH:16][c:17](-[c:24]4[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]4)[cH:18][cH:19]3)[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 2856454-Fluorophenylboronic acidHCID 218834492-(1-azabicyclo[2.2.2]octan-3-yl)-N-(4-bromophenyl)acetamide

Product 2

HCID 313Hydrochloric AcidHCID 218834642-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-(4-fluorophenyl)phenyl]acetamide

Sources & evidence

ORD record
ord-cd6968e9ce944d98a34d4a8bad9bb879
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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