Dichloromethane → Trifluoroacetate

HRID 2127425Notes

Reaction equation

HRID 2127425 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15]([CH3:40])[c:16](=[O:39])[c:17](-[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[c:18]2-[c:19]2[n:20][c:21]([O:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:22][cH:23][cH:24]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:48][CH2:49][Cl:50].[F:41][C:42]([C:43](=[O:44])[OH:45])([F:46])[F:47]>>[F:41][C:42]([C:43](=[O:44])[O-:45])([F:46])[F:47].[NH:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15]([CH3:40])[c:16](=[O:39])[c:17](-[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[c:18]2-[c:19]2[n:20][c:21]([O:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:22][cH:23][cH:24]2)[CH2:12][CH2:13]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 600611364-[4-(4-Fluorophenyl)-2-methyl-5-(2-phenoxy-pyrimidin-4-yl)-3-oxo-2,3-dihydro-pyrazol-1-yl]-piperidine-1 carboxylic acid tert-butyl ester

Product 2

HCID 84468TrifluoroacetateHCID 101736564-(4-Fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)-1-piperidin-4-ylpyrazol-3-one

Sources & evidence

ORD record
ord-257763d7604241c4b7fb4fd0956a807a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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