Hydrochloric Acid → Hydrochloric Acid

HRID 197010Notes

Reaction equation

HRID 197010 reaction equation
[ClH:19].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][cH:8][cH:9]1.[N:20]12[CH2:21][CH:22]([CH2:28][C:29](=[O:30])[NH:31][c:32]3[cH:33][cH:34][c:35]([Br:38])[cH:36][cH:37]3)[CH:23]([CH2:24][CH2:25]1)[CH2:26][CH2:27]2.[Na+:13].[Na+:14].[O-:15][C:16](=[O:17])[O-:18].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[ClH:19].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:35]2[cH:34][cH:33][c:32]([NH:31][C:29]([CH2:28][CH:22]3[CH2:21][N:20]4[CH2:25][CH2:24][CH:23]3[CH2:26][CH2:27]4)=[O:30])[cH:37][cH:36]2)[cH:7][cH:8][cH:9]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 16773-Nitrophenylboronic AcidHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 218834492-(1-azabicyclo[2.2.2]octan-3-yl)-N-(4-bromophenyl)acetamide

Product 2

HCID 313Hydrochloric AcidHCID 218834562-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-(3-nitrophenyl)phenyl]acetamide

Sources & evidence

ORD record
ord-740517aee5804541aa2ab601e79c3fb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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