Hydrochloric Acid → Hydrochloric Acid

HRID 166788

Reaction equation

HRID 166788 reaction equation
[ClH:7].[N:8]12[CH2:9][CH:10]([NH:16][C:17](=[O:18])[c:19]3[s:20][c:21]4[c:22]([cH:23]3)[cH:24][c:25]([Br:28])[cH:26][cH:27]4)[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:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH:29][B:30]([OH:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[ClH:7].[N:8]12[CH2:9][CH:10]([NH:16][C:17](=[O:18])[c:19]3[s:20][c:21]4[c:22]([cH:23]3)[cH:24][c:25](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:26][cH:27]4)[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 66827Phenylboronic AcidHCID 17982764N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1-benzothiophene-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 76800742HCID 76800742, compound

Sources & evidence

ORD record
ord-79fdbee26cbe426698c1c697ebefa558
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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