Acetic Acid → methyl 2-[2-(3,4-dichloro-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)ethylamino]-4-phenylmethoxybutanoate

HRID 319992Notes

Reaction equation

HRID 319992 reaction equation
[BH3:46].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][N:9]([CH2:10][CH:11]=[O:12])[c:13]1[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]1)=[O:21].[C:53]([OH:54])(=[O:55])[CH3:56].[CH3:22][O:23][C:24]([CH:25]([CH2:26][CH2:27][O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[NH2:36])=[O:37].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[ClH:38].[n:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][N:9]([CH2:10][CH2:11][NH:36][CH:25]([C:24]([O:23][CH3:22])=[O:37])[CH2:26][CH2:27][O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[c:13]1[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]1)=[O:21]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 1049PyridineHCID 6331BoraneHCID 8471TriethylamineHCID 66782702Methyl 2-amino-4-(benzyloxy)butanoateHCID 866383783-[(3,4-Dichloro-phenyl)-(2-oxo-ethyl)-amino]-propionic Acid tert-butyl ester

Product 1

HCID 66782974methyl 2-[2-(3,4-dichloro-N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino)ethylamino]-4-phenylmethoxybutanoate

Sources & evidence

ORD record
ord-9de56e7c63c247fa8958a8808556167a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…