Hydrochloric Acid → 1H-Pyrazole-4-carboxylic acid, 5-cyclopropyl-1-(5-quinolinyl)-

HRID 692017Notes

Reaction equation

HRID 692017 reaction equation
[CH3:11][N:12]([CH:13]=[C:14]([C:15](=[O:16])[CH:17]1[CH2:18][CH2:19]1)[C:20]([OH:21])=[O:22])[CH3:23].[CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6]([CH:7]1[CH2:8][CH2:9]1)=[O:10].[CH3:38][O:39][C:40](=[O:41])[c:42]1[cH:43][n:44][n:45](-[c:50]2[c:51]3[cH:52][cH:53][cH:54][n:55][c:56]3[cH:57][cH:58][cH:59]2)[c:46]1[CH:47]1[CH2:48][CH2:49]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[ClH:24].[ClH:25].[NH:26]([c:27]1[cH:28][cH:29][cH:30][c:31]2[c:32]1[cH:33][cH:34][cH:35][n:36]2)[NH2:37]>>[O:39]=[C:40]([OH:41])[c:42]1[cH:43][n:44][n:45](-[c:50]2[c:51]3[cH:52][cH:53][cH:54][n:55][c:56]3[cH:57][cH:58][cH:59]2)[c:46]1[CH:47]1[CH2:48][CH2:49]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 52004515-HydrazinylquinolineHCID 101300163-Cyclopropyl-3-Oxopropionic Acid Methyl EsterHCID 11449248Methyl 5-cyclopropyl-1-(5-quinolyl)pyrazole-4-carboxylateHCID 668771522-(Cyclopropanecarbonyl)-3-(dimethylamino)prop-2-enoic acid

Product 1

HCID 113004451H-Pyrazole-4-carboxylic acid, 5-cyclopropyl-1-(5-quinolinyl)-

Sources & evidence

ORD record
ord-d7c173d280764b5fa53734eb992a9d63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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