Ethanol → 3-[4-(3-Methyl-2,6-dioxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

HRID 295397

Reaction equation

HRID 295397 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1.[CH3:23][n:24]1[c:25](=[O:26])[nH:27][c:28](=[O:29])[cH:30][cH:31]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:42][CH2:43][OH:44].[Cl:39][CH2:40][Cl:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][c:14]1[cH:15][cH:16][c:17](-[n:27]2[c:25](=[O:26])[n:24]([CH3:23])[cH:31][cH:30][c:28]2=[O:29])[cH:18][cH:19]1

Participants

6

Reactant 5

HCID 702EthanolHCID 6344DichloromethaneHCID 8471TriethylamineHCID 120091-MethyluracilHCID 139962352-[(t-Butoxycarbonyl) amino]-3-[4-(dihydroxyboranyl) phenyl] propionic acid

Product 1

HCID 178498733-[4-(3-Methyl-2,6-dioxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Sources & evidence

ORD record
ord-01d0d04ae1c247d9a4c6468ecbe7f02a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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