4-Nitrobenzoic Acid → [4-[1-(1-Cyclopentyl-3-oxopropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate

HRID 2130951Notes

Reaction equation

HRID 2130951 reaction equation
[C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])(=[O:31])[O:32][CH2:33][n:34]1[cH:35][cH:36][c:37]2[c:38]1[n:39][cH:40][n:41][c:42]2-[c:43]1[cH:44][n:45][nH:46][cH:47]1.[CH:1]1([CH:6]=[CH:7][CH:8]=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:22]([Cl:23])([Cl:24])[Cl:25].[OH:10][C:11]([c:12]1[cH:13][cH:14][c:15]([N+:16](=[O:17])[O-:18])[cH:19][cH:20]1)=[O:21]>>[CH:1]1([CH:6]([CH2:7][CH:8]=[O:9])[n:46]2[n:45][cH:44][c:43](-[c:42]3[c:37]4[cH:36][cH:35][n:34]([CH2:33][O:32][C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[c:38]4[n:39][cH:40][n:41]3)[cH:47]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

5

Reactant 4

HCID 61084-Nitrobenzoic AcidHCID 6212ChloroformHCID 56619574CID 56619574HCID 57868869(4-(1H-Pyrazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)methyl pivalate

Product 1

HCID 72279363[4-[1-(1-Cyclopentyl-3-oxopropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate

Sources & evidence

ORD record
ord-2699660681024a8ba23d4a83faeadc00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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