Hydrochloric Acid → 6-benzyloxy-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acid [3-(4-fluoro-phenyl)-2-oxo-propyl]-amide

HRID 96133Notes

Reaction equation

HRID 96133 reaction equation
[C:58](=[O:59])([OH:60])[O-:61].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:20](=[O:21])[OH:22])[n:11][c:12]2[n:13]([c:14]1=[O:15])[cH:16][c:17]([CH3:19])[s:18]2.[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[ClH:23].[ClH:47].[NH2:24][CH2:25][C:26]([CH2:27][c:28]1[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]1)=[O:35].[Na+:62].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:20](=[O:21])[NH:24][CH2:25][C:26]([CH2:27][c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)=[O:35])[n:11][c:12]2[n:13]([c:14]1=[O:15])[cH:16][c:17]([CH3:19])[s:18]2

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 13290673HCID 13290673, compoundHCID 585144576-benzyloxy-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acid

Product 1

HCID 670052056-benzyloxy-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acid [3-(4-fluoro-phenyl)-2-oxo-propyl]-amide

Sources & evidence

ORD record
ord-7b93c27d70b348778e951313b9ff21ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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