Hydrochloric Acid → 5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-N-(trans-4-hydroxycyclohexyl)-4-methylpyridine-2-carboxamide

HRID 1540835Notes

Reaction equation

HRID 1540835 reaction equation
[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH2:68]([Cl:69])[Cl:70].[CH3:61][N:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[ClH:30].[ClH:49].[F:1][c:2]1[c:3]([CH:9]([c:10]2[c:11]([CH3:19])[cH:12][c:13]([C:16](=[O:17])[OH:18])[n:14][cH:15]2)[S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[NH2:31][CH:32]1[CH2:33][CH2:34][CH:35]([OH:38])[CH2:36][CH2:37]1.[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[F:1][c:2]1[c:3]([CH:9]([c:10]2[c:11]([CH3:19])[cH:12][c:13]([C:16](=[O:17])[NH:31][CH:32]3[CH2:33][CH2:34][CH:35]([OH:38])[CH2:36][CH2:37]3)[n:14][cH:15]2)[S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 812934-AminocyclohexanolHCID 577364395-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridine-2-carboxylic acid

Product 1

HCID 577365335-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-N-(trans-4-hydroxycyclohexyl)-4-methylpyridine-2-carboxamide

Sources & evidence

ORD record
ord-78d6bbb90631479e8db3f8ec1c1d82a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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