Hydrochloric Acid → Hydrochloric Acid

HRID 2162253Notes

Reaction equation

HRID 2162253 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]([B:11]([OH:12])[OH:13])[cH:8][cH:9][cH:10]1.[ClH:20].[N:21]12[CH2:22][CH:23]([CH2:29][C:30](=[O:31])[NH:32][c:33]3[cH:34][cH:35][c:36]([Br:39])[cH:37][cH:38]3)[CH:24]([CH2:25][CH2:26]1)[CH2:27][CH2:28]2.[Na+:14].[Na+:15].[O-:16][C:17](=[O:18])[O-:19].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7](-[c:36]2[cH:35][cH:34][c:33]([NH:32][C:30]([CH2:29][CH:23]3[CH2:22][N:21]4[CH2:26][CH2:25][CH:24]3[CH2:27][CH2:28]4)=[O:31])[cH:38][cH:37]2)[cH:8][cH:9][cH:10]1.[ClH:20]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 157274(3-Acetamidophenyl)boronic acidHCID 218834492-(1-azabicyclo[2.2.2]octan-3-yl)-N-(4-bromophenyl)acetamide

Product 2

HCID 313Hydrochloric AcidHCID 21883475N-[4-(3-acetamidophenyl)phenyl]-2-(1-azabicyclo[2.2.2]octan-3-yl)acetamide

Sources & evidence

ORD record
ord-392b421037644e46a8614e8ede345665
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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