Hydrochloric Acid → Hydrochloric Acid

HRID 1550346Notes

Reaction equation

HRID 1550346 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[ClH:14].[N:15]12[CH2:16][CH:17]([NH:23][C:24](=[O:25])[c:26]3[o:27][c:28]4[c:29]([cH:30]3)[cH:31][c:32]([Br:35])[cH:33][cH:34]4)[CH:18]([CH2:19][CH2:20]1)[CH2:21][CH2:22]2.[Na+:13].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH-:12]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:32]2[cH:31][c:29]3[c:28]([o:27][c:26]([C:24]([NH:23][CH:17]4[CH2:16][N:15]5[CH2:20][CH2:19][CH:18]4[CH2:21][CH2:22]5)=[O:25])[cH:30]3)[cH:34][cH:33]2)[cH:7][cH:8]1.[ClH:14]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 201262(4-Methoxyphenyl)boronic acidHCID 17982641N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1-benzofuran-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 17982676N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide

Sources & evidence

ORD record
ord-a4f3ce7f2f844664ac4f5217e0207e72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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