Hydrochloric Acid → Hydrochloric Acid

HRID 685658Notes

Reaction equation

HRID 685658 reaction equation
[C:23](=[O:24])([OH:25])[c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[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[Br:22])[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[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:29]3[cH:28][cH:27][c:26]([C:23](=[O:24])[OH:25])[cH:31][cH:30]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 3121834-Carboxyphenylboronic AcidHCID 17982656N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-1-benzofuran-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 178524205HCID 178524205, compound

Sources & evidence

ORD record
ord-6b3b43536b7c454ba99d6e38acbcbb86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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