Acetamide → 2-Amino-6-chloronicotinic acid

HRID 2331083Notes

Reaction equation

HRID 2331083 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][N:8]([CH2:9][CH2:10][O:11][CH2:12][CH2:13][O:14][CH3:15])[CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH3:22].[CH3:34][C:35](=[O:36])[NH2:37].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl:23][c:24]1[c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][c:31]([Cl:33])[n:32]1.[Cl:58][Cu:59].[ClH:44].[K+:42].[K+:43].[OH2:66].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57].[c:67]1([CH3:68])[c:69]([CH3:70])[cH:71][cH:72][cH:73][cH:74]1>>[NH2:8][c:24]1[c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][c:31]([Cl:33])[n:32]1

Participants

12

Reactant 11

HCID 178AcetamideHCID 311Citric AcidHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 7237O-XyleneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 62652Cuprous chlorideHCID 112414Ethanamine, 2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]-HCID 8540472,6-Dichloronicotinic acid

Product 1

HCID 122639922-Amino-6-chloronicotinic acid

Sources & evidence

ORD record
ord-2c62f59abc794350be4a160b015a3322
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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