Hydrochloric Acid → Hydrochloric Acid

HRID 2123356Notes

Reaction equation

HRID 2123356 reaction equation
[ClH:18].[N:19]12[CH2:20][CH:21]([NH:27][C:28](=[O:29])[c:30]3[o:31][c:32]4[c:33]([cH:34]3)[cH:35][c:36]([Br:39])[cH:37][cH:38]4)[CH:22]([CH2:23][CH2:24]1)[CH2:25][CH2:26]2.[Na+:17].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([B:13]([OH:14])[OH:15])[cH:11][cH:12]2)[CH2:5][CH2:6]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH-:16]>>[ClH:18].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10](-[c:36]3[cH:35][c:33]4[c:32]([o:31][c:30]([C:28]([NH:27][CH:21]5[CH2:20][N:19]6[CH2:24][CH2:23][CH:22]5[CH2:25][CH2:26]6)=[O:29])[cH:34]4)[cH:38][cH:37]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 2795359(4-(Morpholin-4-yl)phenyl)boronic acidHCID 17982641N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1-benzofuran-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 17982774N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

Sources & evidence

ORD record
ord-dde4faa791aa4734951699a8711f91c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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