Hydrochloric Acid → Hydrochloric Acid

HRID 153265

Reaction equation

HRID 153265 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][cH:25][cH:26][c:27]4[Br:28])[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:29]1[CH2:30][CH2:31][N:32]([c:35]2[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]2)[CH2:33][CH2:34]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[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][cH:25][cH:26][c:27]4-[c:38]3[cH:37][cH:36][c:35]([N:32]4[CH2:31][CH2:30][O:29][CH2:34][CH2:33]4)[cH:40][cH:39]3)[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 2795359(4-(Morpholin-4-yl)phenyl)boronic acidHCID 17982630N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-1-benzothiophene-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 17982703N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(4-morpholin-4-ylphenyl)-1-benzothiophene-2-carboxamide

Sources & evidence

ORD record
ord-295f768decf64ff594e7b5ac87772bf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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