Toluene → Tert-butyl 4-[4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-methyl-3-oxopyrazol-1-yl]piperidine-1-carboxylate

HRID 2340394Notes

Reaction equation

HRID 2340394 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15]([CH3:37])[c:16](=[O:36])[c:17](-[c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[c:18]2-[c:19]2[n:20][c:21]([S:25]([CH3:26])(=[O:27])=[O:28])[n:22][cH:23][cH:24]2)[CH2:12][CH2:13]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[NH2:38][CH:39]([CH3:40])[CH2:41][O:42][CH3:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15]([CH3:37])[c:16](=[O:36])[c:17](-[c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[c:18]2-[c:19]2[n:20][c:21]([NH:38][CH:39]([CH3:40])[CH2:41][O:42][CH3:43])[n:22][cH:23][cH:24]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 123458MethoxyisopropylamineHCID 600611314-[4-(4-Fluorophenyl)-2-methyl-5-(2-methanesulfonyl-pyrimidin-4-yl)-3-oxo-2,3-dihydro-pyrazol-1-yl]-piperidine-1 carboxylic acid tert-butyl ester

Product 1

HCID 60061134Tert-butyl 4-[4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-methyl-3-oxopyrazol-1-yl]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-5085281237cc4cae9b59d93e065d4573
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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