Hydrochloric Acid → 6-Chloro-N-(3-chloro-5-((3,5-dichloro-2-hydroxy-N-isobutylphenylsulfonamido)methyl)benzyl)-N-isobutylnicotinamide

HRID 694197Notes

Reaction equation

HRID 694197 reaction equation
[CH2:12]([N:13]=[C:14]=[N:15][CH2:16][CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[CH3:22].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Cl:34][c:35]1[c:36]([OH:64])[c:37]([S:42](=[O:43])(=[O:44])[N:45]([CH2:46][CH:47]([CH3:48])[CH3:49])[CH2:50][c:51]2[cH:52][c:53]([Cl:63])[cH:54][c:55]([CH2:57][NH:58][CH2:59][CH:60]([CH3:61])[CH3:62])[cH:56]2)[cH:38][c:39]([Cl:41])[cH:40]1.[ClH:11].[Na+:74].[O-:70][C:71]([OH:72])=[O:73].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:33].[OH:23][n:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[n:31][n:32]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:8])[N:58]([CH2:57][c:55]2[cH:54][c:53]([Cl:63])[cH:52][c:51]([CH2:50][N:45]([S:42]([c:37]3[c:36]([OH:64])[c:35]([Cl:34])[cH:40][c:39]([Cl:41])[cH:38]3)(=[O:43])=[O:44])[CH2:46][CH:47]([CH3:48])[CH3:49])[cH:56]2)[CH2:59][CH:60]([CH3:61])[CH3:62])[cH:9][cH:10]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 792226-Chloronicotinic acidHCID 585315243,5-Dichloro-N-(3-chloro-5-((isobutylamino)methyl)benzyl)-2-hydroxy-N-isobutylbenzenesulfonamide

Product 1

HCID 585313546-Chloro-N-(3-chloro-5-((3,5-dichloro-2-hydroxy-N-isobutylphenylsulfonamido)methyl)benzyl)-N-isobutylnicotinamide

Sources & evidence

ORD record
ord-2d3931539b294339b41fd85ab934370a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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