Acetate → HCID 57635778, compound

HRID 2162709Notes

Reaction equation

HRID 2162709 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH3:1][c:2]1[n:3][n:4](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[c:5]([NH2:7])[cH:6]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl:14][c:15]1[c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22][n:23]1.[ClH:30].[Cu+2:47].[K+:28].[K+:29].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH2:42]>>[CH3:1][c:2]1[n:3][n:4](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[c:5]([NH:7][c:15]2[c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22][n:23]2)[cH:6]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 27099Cupric cationHCID 708015-Amino-3-methyl-1-phenylpyrazoleHCID 762582-Chloronicotinic acid

Product 1

HCID 57635778HCID 57635778, compound

Sources & evidence

ORD record
ord-4ccdab13761848d5b78294cc0c4eaa34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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