Hydrochloric Acid → Ethyl 5-(2,2-dimethylpropanoyl)-3-[(4-fluorobenzoyl)amino]-6,6-dimethyl-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate

HRID 94136Notes

Reaction equation

HRID 94136 reaction equation
[C:36]([C:37]([CH3:38])([CH3:39])[CH3:40])(=[O:41])[Cl:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl:55][CH2:56][Cl:57].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]3[c:12]([n:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[n:14]2)[C:20]([CH3:23])([CH3:24])[NH:21][CH2:22]3)[cH:25][cH:26]1>>[F:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]3[c:12]([n:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[n:14]2)[C:20]([CH3:23])([CH3:24])[N:21]([C:36]([C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:22]3)[cH:25][cH:26]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 62493Pivaloyl chlorideHCID 81531DiisopropylethylamineHCID 68649269Ethyl 3-(4-fluorobenzamido)-6,6-dimethyl-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate

Product 1

HCID 68649346Ethyl 5-(2,2-dimethylpropanoyl)-3-[(4-fluorobenzoyl)amino]-6,6-dimethyl-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate

Sources & evidence

ORD record
ord-2b5a466f20f0433baf5c952b51cf4fb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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