Acetate → Hydrochloric Acid

HRID 195512Notes

Reaction equation

HRID 195512 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:13])[CH2:10][CH2:11][CH2:12]2)[cH:6][cH:7]1.[CH3:15][C:16](=[O:17])[O-:18].[ClH:19].[K+:14].[N:20]12[CH2:21][CH:22]([NH:28][C:29](=[O:30])[c:31]3[s:32][c:33]4[c:34]([cH:35]3)[cH:36][cH:37][cH:38][c:39]4[Br:40])[CH:23]([CH2:24][CH2:25]1)[CH2:26][CH2:27]2.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[ClH:19].[c:2]1(-[c:39]2[c:33]3[s:32][c:31]([C:29]([NH:28][CH:22]4[CH2:21][N:20]5[CH2:25][CH2:24][CH:23]4[CH2:26][CH2:27]5)=[O:30])[cH:35][c:34]3[cH:36][cH:37][cH:38]2)[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:13])[CH2:10][CH2:11][CH2:12]2)[cH:6][cH:7]1

Participants

10

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 813Potassium CationHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 7361101-(4-Bromophenyl)pyrrolidin-2-oneHCID 17982630N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-1-benzothiophene-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 17982846N-(1-azabicyclo[2.2.2]octan-3-yl)-7-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide

Sources & evidence

ORD record
ord-cf0a8f0e0b8545afa0e94cd54ab10fd7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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