Acetic Acid → HCID 68670259, compound

HRID 2162442Notes

Reaction equation

HRID 2162442 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:33][C:34](=[O:35])[OH:36].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH:21](=[O:22])[c:23]1[cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31][cH:32]1.[NH2:1][CH2:2][CH:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[NH:12][C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[OH:20]>>[NH:1]([CH2:2][CH:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[NH:12][C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[OH:20])[CH2:21][c:23]1[cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31][cH:32]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 639145Methyl 3-formylbenzoateHCID 11065838tert-butyl N-(4-amino-3-hydroxy-1-phenylbutan-2-yl)carbamate

Product 1

HCID 68670259HCID 68670259, compound

Sources & evidence

ORD record
ord-b3ccf9a6b7654b2faecc3f8ebd57d9c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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