Pyridine → 2-[({[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]-3,3,3-trifluoro-2-hydroxypropyl 4-methylbenzenesulfonate

HRID 671094Notes

Reaction equation

HRID 671094 reaction equation
[Cl:37][CH2:38][Cl:39].[NH2:1][c:2]1[c:3]([C:14](=[O:15])[NH:16][CH2:17][C:18]([C:19]([F:20])([F:21])[F:22])([CH2:23][OH:24])[OH:25])[cH:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]1.[c:26]1([CH3:36])[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[Cl:35])[cH:30][cH:31]1.[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[NH2:1][c:2]1[c:3]([C:14](=[O:15])[NH:16][CH2:17][C:18]([C:19]([F:20])([F:21])[F:22])([CH2:23][O:24][S:32]([c:29]2[cH:28][cH:27][c:26]([CH3:36])[cH:31][cH:30]2)(=[O:33])=[O:34])[OH:25])[cH:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]1

Participants

5

Reactant 4

HCID 1049PyridineHCID 6344DichloromethaneHCID 73974-Toluenesulfonyl chlorideHCID 591872265-amino-1-(4-fluorophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(hydroxymethyl)propyl]-1H-pyrazole-4-carboxamide

Product 1

HCID 591872402-[({[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]-3,3,3-trifluoro-2-hydroxypropyl 4-methylbenzenesulfonate

Sources & evidence

ORD record
ord-6e61f08409484e99bb883eb5e1802d16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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