Hydrochloric Acid → Hydrochloric Acid

HRID 162784Notes

Reaction equation

HRID 162784 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[ClH:21].[ClH:22].[K+:5].[K+:6].[NH2:23][c:24]1[cH:25][c:26]([O:41][CH3:42])[c:27]([C:28](=[O:29])[NH:30][CH2:31][CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:38][c:39]1[Cl:40].[OH2:43].[c:7]1([S:13](=[O:14])(=[O:15])[CH2:16][CH2:17][CH2:18][CH2:19][Cl:20])[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[ClH:20].[c:7]1([S:13](=[O:14])(=[O:15])[CH2:16][CH2:17][CH2:18][CH2:19][N:35]2[CH2:34][CH2:33][CH:32]([CH2:31][NH:30][C:28]([c:27]3[c:26]([O:41][CH3:42])[cH:25][c:24]([NH2:23])[c:39]([Cl:40])[cH:38]3)=[O:29])[CH2:37][CH2:36]2)[cH:8][cH:9][cH:10][cH:11][cH:12]1

Participants

9

Reactant 7

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 98177134-amino-5-chloro-2-methoxy-N-(piperidin-4-ylmethyl)benzamideHCID 12457347((4-Chlorobutyl)sulfonyl)benzene

Product 2

HCID 313Hydrochloric AcidHCID 103456124-amino-N-[[1-[4-(benzenesulfonyl)butyl]piperidin-4-yl]methyl]-5-chloro-2-methoxybenzamide

Sources & evidence

ORD record
ord-032b20931cd2470bab58ebf516e30faa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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