Hydrochloric Acid → Hydrochloric Acid

HRID 1145120Notes

Reaction equation

HRID 1145120 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[ClH:7].[K+:5].[K+:6].[N:8]12[CH2:9][CH:10]([C:16](=[O:17])[Cl:18])[CH:11]([CH2:12][CH2:13]1)[CH2:14][CH2:15]2.[NH2:19][c:20]1[cH:21][cH:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[NH:35][CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:30][cH:31]2)[cH:24][cH:25]1.[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[ClH:18].[N:8]12[CH2:9][CH:10]([C:16](=[O:17])[NH:19][c:20]3[cH:21][cH:22][c:23](-[c:26]4[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[NH:35][CH2:36][c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[cH:30][cH:31]4)[cH:24][cH:25]3)[CH:11]([CH2:12][CH2:13]1)[CH2:14][CH2:15]2

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 114466161-Azabicyclo[2.2.2]octane-3-carbonyl chlorideHCID 596940884'-Amino-N-benzylbiphenyl-4-sulfonamide

Product 2

HCID 313Hydrochloric AcidHCID 72799045N-[4-[4-(benzylsulfamoyl)phenyl]phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide

Sources & evidence

ORD record
ord-1fd6d02681674aa28450d13c74e26077
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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