Hydrochloric Acid → Hydrochloric Acid

HRID 165327Notes

Reaction equation

HRID 165327 reaction equation
[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].[OH:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH: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-[c:28]3[cH:27][cH:26][c:25]([CH2:24][OH:23])[cH:30][cH:29]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 27347064-(Hydroxymethyl)benzeneboronic acidHCID 17982630N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-1-benzothiophene-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 76800701N-(1-azabicyclo[2.2.2]octan-3-yl)-7-[4-(hydroxymethyl)phenyl]-1-benzothiophene-2-carboxamide

Sources & evidence

ORD record
ord-1a018f8ba13c4187b424b3582419e02a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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