Hydrochloric Acid → 5-(5-chloro-thiophen-2-yl)-1H-pyrazole-3-carboxylic acid {2-[4-(2,5-difluoro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

HRID 152991

Reaction equation

HRID 152991 reaction equation
[C:28]([c:29]1[s:30][c:31]([Cl:32])[cH:33][cH:34]1)(=[O:35])[CH3:36].[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[cH:12][cH:13][c:14](-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[n:19][nH:20]2)[s:15]1.[ClH:58].[ClH:59].[F:60][c:61]1[c:62]([O:63][CH:64]2[CH2:65][CH2:66][NH:67][CH2:68][CH2:69]2)[cH:70][c:71]([F:74])[cH:72][cH:73]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:80].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[Cl:10][c:11]1[cH:12][cH:13][c:14](-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:67]3[CH2:66][CH2:65][CH:64]([O:63][c:62]4[c:61]([F:60])[cH:73][cH:72][c:71]([F:74])[cH:70]4)[CH2:69][CH2:68]3)[n:19][nH:20]2)[s:15]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 805722-Acetyl-5-chlorothiopheneHCID 81531DiisopropylethylamineHCID 578744084-(2,5-Difluorophenoxy)piperidineHCID 66591784{[5-(5-chloro-thiophen-2-yl)-1H-pyrazole-3-carbonyl]-amino}-acetic acid

Product 1

HCID 442352755-(5-chloro-thiophen-2-yl)-1H-pyrazole-3-carboxylic acid {2-[4-(2,5-difluoro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-8a15e816ca6c454e9de3efbcd448d1bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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