Acetic Acid → 2-(Phenylamino)propanoic acid

HRID 1231165Notes

Reaction equation

HRID 1231165 reaction equation
[C:50]([OH:51])(=[O:52])[CH3:53].[C:54]([O:55][CH2:56][CH3:57])(=[O:58])[CH3:59].[CH2:22]([N+:23]([CH2:24][CH3:25])([CH2:26][CH3:27])[CH2:28][CH3:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:1][CH:2]([NH2:3])[C:4]([OH:5])=[O:6].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:60][CH2:61][CH2:62][CH2:63][CH2:64][CH3:65].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[Cl-:21].[ClH:20].[Cu:48][I:49].[I:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[K+:14].[K+:15].[O-:16][C:17]([O-:18])=[O:19].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:47]>>[CH3:1][CH:2]([NH:3][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[C:4]([OH:5])=[O:6]

Participants

15

Reactant 14

HCID 176Acetic AcidHCID 312ChlorideHCID 313Hydrochloric AcidHCID 602DL-alanineHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl Acetate2×HCID 11575IodobenzeneHCID 17208BenzyltriethylammoniumHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

Product 1

HCID 27603572-(Phenylamino)propanoic acid

Sources & evidence

ORD record
ord-362fa160e9f74ff0973fb0e655eb7f3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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