Hydrochloric Acid → Tert-butyl 4-methyl-2-[3-[(6-propan-2-yl-3-pyridinyl)methylcarbamoyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylate

HRID 2128103Notes

Reaction equation

HRID 2128103 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([CH3:36])[n:10][c:11]([N:13]2[CH2:14][CH:15]([C:33](=[O:34])[OH:35])[N:16]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[CH2:17][CH2:18]2)[s:12]1.[CH2:60]([N:61]=[C:62]=[N:63][CH2:64][CH2:65][CH2:66][N:67]([CH3:68])[CH3:69])[CH3:70].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:37]([CH3:38])([CH3:39])[c:40]1[cH:41][cH:42][c:43]([CH2:46][NH2:47])[cH:44][n:45]1.[ClH:59].[OH2:48].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([CH3:36])[n:10][c:11]([N:13]2[CH2:14][CH:15]([C:33](=[O:35])[NH:47][CH2:46][c:43]3[cH:42][cH:41][c:40]([CH:37]([CH3:38])[CH3:39])[n:45][cH:44]3)[N:16]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[CH2:17][CH2:18]2)[s:12]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 17854197[6-(Propan-2-yl)pyridin-3-yl]methanamineHCID 674083264-[4-Methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-2-carboxylic acid

Product 1

HCID 67410778Tert-butyl 4-methyl-2-[3-[(6-propan-2-yl-3-pyridinyl)methylcarbamoyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylate

Sources & evidence

ORD record
ord-c3e6c8a03de844c68fc167feb123f930
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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