Ammonium → 2-Amino-3-(3-cyano-phenyl)-propionic acid

HRID 104797

Reaction equation

HRID 104797 reaction equation
[Br-:57].[C:40](#[N:41])[c:42]1[cH:43][c:44]([CH2:45][Br:46])[cH:47][cH:48][cH:49]1.[C:51](=[O:52])([O-:53])[O-:54].[CH2:18][CH3:19].[CH2:20]([O:21][C:22](=[O:23])[CH2:24][N:25]=[C:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[CH3:39].[CH3:58][CH2:59][CH2:60][CH2:61][N+:62]([CH2:63][CH2:64][CH2:65][CH3:66])([CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH3:74].[K+:55].[K+:56].[NH2:1][CH2:2][C:3]([OH:4])=[O:5].[NH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[NH4+:50]>>[NH2:1][CH:2]([C:3]([OH:4])=[O:5])[CH2:45][c:44]1[cH:43][c:42]([C:40]#[N:41])[cH:49][cH:48][cH:47]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 259Bromide ionHCID 750GlycineHCID 813Potassium Cation2×HCID 994Dl-PhenylalanineHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 97249Benzonitrile, 3-(bromomethyl)-HCID 123138EthylHCID 319508Ethyl 2-(diphenylmethyleneamino)acetate

Product 1

HCID 105595692-Amino-3-(3-cyano-phenyl)-propionic acid

Sources & evidence

ORD record
ord-1411848f6b264e569fe64a730055b73a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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