Acetone → Dl-Phenylalanine

HRID 1237438Notes

Reaction equation

HRID 1237438 reaction equation
[CH3:60][C:61](=[O:62])[CH3:63].[CH:37]([c:38]1[c:39]([OH:40])[cH:41][cH:42][cH:43][cH:44]1)=[O:45].[CH:64]([OH:65])=[O:66].[NH2:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]([OH:11])=[O:12].[NH2:25][CH:26]([C:27]([OH:28])=[O:29])[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[OH2:46].[OH2:47].[c:13]1([CH3:24])[c:14]([S:20](=[O:21])(=[O:22])[O-:23])[cH:15][c:16]([CH3:19])[cH:17][cH:18]1.[c:48]1([CH3:49])[c:50]([S:51]([OH:52])(=[O:53])=[O:54])[cH:55][c:56]([CH3:57])[cH:58][cH:59]1>>[NH2:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10](=[O:11])[OH:12].[c:13]1([CH3:24])[c:14]([S:20](=[O:21])(=[O:22])[O-:23])[cH:15][c:16]([CH3:19])[cH:17][cH:18]1

Participants

9

Reactant 7

HCID 180AcetoneHCID 284Formic AcidHCID 962Water2×HCID 994Dl-Phenylalanine2×HCID 6998SalicylaldehydeHCID 118682,5-Dimethylbenzenesulfonic acidHCID 69990162,5-Dimethylbenzene-1-sulfonate(1-)

Product 2

HCID 994Dl-PhenylalanineHCID 69990162,5-Dimethylbenzene-1-sulfonate(1-)

Sources & evidence

ORD record
ord-55ea3639810f43af90d9c2a74ac7df8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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