Beta-Alanine → HCID 20261959, compound

HRID 117177Notes

Reaction equation

HRID 117177 reaction equation
[CH3:40][C:41]#[N:42].[Cl:1][c:2]1[cH:3][c:4]([Cl:23])[cH:24][cH:25][c:26]1[O:27][c:5]1[c:6]([N+:20](=[O:21])[O-:22])[cH:7][cH:8][c:9]([O:11][c:12]2[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[cH:10]1.[K+:34].[K+:35].[NH2:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33].[O-:36][C:37]([O-:38])=[O:39]>>[c:5]1([NH:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33])[c:6]([N+:20](=[O:21])[O-:22])[cH:7][cH:8][c:9]([O:11][c:12]2[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[cH:10]1

Participants

6

Reactant 5

HCID 239Beta-AlanineHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 181157Benzene, 2,4-bis(2,4-dichlorophenoxy)-1-nitro-

Product 1

HCID 20261959HCID 20261959, compound

Sources & evidence

ORD record
ord-5083d5b6ee224a27a77c5cd0058ee2ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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