Hydrochloric Acid → 4-[(6-Chloronaphthalen-2-yl)sulfonyl]-1-[(6-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-2-[[N-(tetrahydropyran-2-yloxy)]carbamoyl]piperazine

HRID 2162659Notes

Reaction equation

HRID 2162659 reaction equation
[C:67](=[O:68])([O-:69])[O-:70].[CH3:56][N:57]([CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65])[CH3:66].[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]3[CH2:16][CH:17]([C:33](=[O:34])[OH:35])[N:18]([C:21](=[O:22])[c:23]4[s:24][c:25]5[c:30]([n:31]4)[CH2:29][CH:28]([CH3:32])[NH:27][CH2:26]5)[CH2:19][CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1.[ClH:55].[K+:71].[K+:72].[O:36]1[CH:37]([O:42][NH2:43])[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:44].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]3[CH2:16][CH:17]([C:33](=[O:34])[NH:43][O:42][CH:37]4[O:36][CH2:41][CH2:40][CH2:39][CH2:38]4)[N:18]([C:21](=[O:22])[c:23]4[s:24][c:25]5[c:30]([n:31]4)[CH2:29][CH:28]([CH3:32])[NH:27][CH2:26]5)[CH2:19][CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 19660Carbonate IonHCID 757711-HydroxybenzotriazoleHCID 5142091O-(Tetrahydropyran-2-yl)hydroxylamineHCID 227103534-[(6-Chloronaphthalen-2-yl)sulfonyl]-1-[(6-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazine-2-carboxylic Acid

Product 1

HCID 227106624-[(6-Chloronaphthalen-2-yl)sulfonyl]-1-[(6-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-2-[[N-(tetrahydropyran-2-yloxy)]carbamoyl]piperazine

Sources & evidence

ORD record
ord-9a9b26e1ed9d45df9fd547775639df27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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