Hydrochloric Acid → Hydrochloric Acid

HRID 1133073Notes

Reaction equation

HRID 1133073 reaction equation
[C:23]([CH3:24])(=[O:25])[c:26]1[cH:27][cH:28][c:29]([B:31]([OH:32])[OH:33])[s:30]1.[ClH:1].[N:2]12[CH2:3][CH:4]([NH:10][C:11](=[O:12])[c:13]3[s: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+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[ClH:1].[N:2]12[CH2:3][CH:4]([NH:10][C:11](=[O:12])[c:13]3[s: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]([CH3:24])=[O:25])[s: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 4143377(5-Acetylthiophen-2-yl)boronic acidHCID 17982630N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-1-benzothiophene-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 72388828HCID 72388828, compound

Sources & evidence

ORD record
ord-b0ef87ed0fbc4d6aae54bfef3b871823
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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