Ethanol → Afalanine

HRID 2340023Notes

Reaction equation

HRID 2340023 reaction equation
[C:1]([O:2][C:3]([N:4]1[CH2:5][CH:6]([P:7]([c:8]2[cH:9][c:10]([CH3:11])[c:12]([O:13][CH3:14])[c:15]([CH3:16])[cH:17]2)[c:18]2[cH:19][c:20]([CH3:21])[c:22]([O:23][CH3:24])[c:25]([CH3:26])[cH:27]2)[CH2:28][CH:29]1[CH2:30][P:31]([c:32]1[cH:33][c:34]([CH3:35])[c:36]([O:37][CH3:38])[c:39]([CH3:40])[cH:41]1)[c:42]1[cH:43][c:44]([CH3:45])[c:46]([O:47][CH3:48])[c:49]([CH3:50])[cH:51]1)=[O:52])([CH3:53])([CH3:54])[CH3:55].[C:63]([CH3:64])(=[O:65])[NH:66][C:67]([C:68](=[O:69])[OH:70])=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:78][CH2:79][OH:80]>>[C:63]([CH3:64])(=[O:65])[NH:66][CH:67]([C:68](=[O:69])[OH:70])[CH2:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8471TriethylamineHCID 956312-(Acetylamino)-3-phenyl-2-propenoic acidHCID 178491639HCID 178491639, compound

Product 1

HCID 2000Afalanine

Sources & evidence

ORD record
ord-f51fbd5545b14699950e410fbbd59020
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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