Hydrochloric Acid → Hydrochloric Acid

HRID 211303Notes

Reaction equation

HRID 211303 reaction equation
[ClH:1].[F:23][C:24]([O:25][c:26]1[cH:27][c:28]([B:32]([OH:33])[OH:34])[cH:29][cH:30][cH:31]1)([F:35])[F:36].[N:2]12[CH2:3][CH:4]([NH:10][C:11](=[O:12])[c:13]3[o:14][c:15]4[c:16]([cH:17]3)[cH:18][cH:19][cH:20][c:21]4[Br:22])[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[ClH:1].[N:2]12[CH2:3][CH:4]([NH:10][C:11](=[O:12])[c:13]3[o:14][c:15]4[c:16]([cH:17]3)[cH:18][cH:19][cH:20][c:21]4-[c:28]3[cH:27][c:26]([O:25][C:24]([F:23])([F:35])[F:36])[cH:31][cH:30][cH:29]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 27343853-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)HCID 17982656N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-1-benzofuran-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 17982689N-(1-azabicyclo[2.2.2]octan-3-yl)-7-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

Sources & evidence

ORD record
ord-4ea80bf8db0d4913a21f0a0737eedaa2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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