Hydrochloric Acid → Hydrochloric Acid

HRID 676034Notes

Reaction equation

HRID 676034 reaction equation
[ClH:7].[N:8]12[CH2:9][CH:10]([NH:16][C:17](=[O:18])[c:19]3[o:20][c:21]4[c:22]([cH:23]3)[cH:24][cH:25][cH:26][c:27]4[Br:28])[CH:11]([CH2:12][CH2:13]1)[CH2:14][CH2:15]2.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH:29][CH2:30][c:31]1[c:32]([B:37]([OH:38])[OH:39])[cH:33][cH:34][cH:35][cH:36]1>>[ClH:7].[N:8]12[CH2:9][CH:10]([NH:16][C:17](=[O:18])[c:19]3[o:20][c:21]4[c:22]([cH:23]3)[cH:24][cH:25][cH:26][c:27]4-[c:32]3[c:31]([CH2:30][OH:29])[cH:36][cH:35][cH:34][cH:33]3)[CH:11]([CH2:12][CH2:13]1)[CH2:14][CH2:15]2

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 43742622-(Hydroxymethyl)phenylboronic AcidHCID 17982656N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-1-benzofuran-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 17982667N-(1-azabicyclo[2.2.2]octan-3-yl)-7-[2-(hydroxymethyl)phenyl]-1-benzofuran-2-carboxamide

Sources & evidence

ORD record
ord-0f6bcf35d011472f989bcf69f55a2012
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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