Acetic Acid → Methyl 3-[[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]methyl]-5-methoxybenzoate

HRID 1552000Notes

Reaction equation

HRID 1552000 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:35][C:36](=[O:37])[OH:38].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[CH:21](=[O:22])[c:23]1[cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][c:31]([O:33][CH3:34])[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][c:31]([O:33][CH3:34])[cH:32]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11065838tert-butyl N-(4-amino-3-hydroxy-1-phenylbutan-2-yl)carbamateHCID 11310067Methyl 3-formyl-5-methoxybenzoate

Product 1

HCID 68671637Methyl 3-[[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]methyl]-5-methoxybenzoate

Sources & evidence

ORD record
ord-467b94f1e44e470daa533baebfd3217b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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