Acetamide → 2-Amino-6-chloronicotinic acid

HRID 196929Notes

Reaction equation

HRID 196929 reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[CH3:12][C:13]([NH2:14])=[O:15].[CH3:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][N:29]([CH2:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH3:36])[CH2:37][CH2:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([Cl:11])[n:10]1.[Cl:58][Cu:59].[ClH:44].[K+:20].[K+:21].[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>>[c:2]1([NH2:14])[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([Cl:11])[n:10]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-d6bc7f4080f645fe8afded1209b52916
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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