Hydrochloric Acid → Hydrochloric Acid

HRID 1557161Notes

Reaction equation

HRID 1557161 reaction equation
[ClH:18].[N:19]12[CH2:20][CH:21]([CH2:27][C:28](=[O:29])[NH:30][c:31]3[cH:32][c:33]([Br:37])[cH:34][cH:35][cH:36]3)[CH:22]([CH2:23][CH2:24]1)[CH2:25][CH2:26]2.[Na+:12].[Na+:13].[Na+:39].[O-:14][C:15](=[O:16])[O-:17].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH-:38].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1>>[ClH:18].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:33]2[cH:32][c:31]([NH:30][C:28]([CH2:27][CH:21]3[CH2:20][N:19]4[CH2:24][CH2:23][CH:22]3[CH2:25][CH2:26]4)=[O:29])[cH:36][cH:35][cH:34]2)[cH:7][cH:8]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ion3×HCID 961HydroxideHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 27347064-(Hydroxymethyl)benzeneboronic acidHCID 218834592-(1-azabicyclo[2.2.2]octan-3-yl)-N-(3-bromophenyl)acetamide

Product 2

HCID 313Hydrochloric AcidHCID 21883462HCID 21883462, compound

Sources & evidence

ORD record
ord-9d4580032be14143a62e10e42ef3b14c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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