1-(1,3-Benzoxazol-2-yl)methanamine → N-(4-(Benzo[d]oxazol-2-ylmethylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide

HRID 662741Notes

Reaction equation

HRID 662741 reaction equation
[c:1]1([CH2:7][CH:8]([CH:9]([C:10](=[O:11])[OH:12])[OH:13])[NH:14][C:15]([c:16]2[c:17](-[n:22]3[n:23][c:24](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[cH:25][cH:26]3)[n:18][cH:19][cH:20][cH:21]2)=[O:33])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[o:34]1[c:35]([CH2:43][NH2:44])[n:36][c:37]2[c:38]1[cH:39][cH:40][cH:41][cH:42]2>>[c:1]1([CH2:7][CH:8]([CH:9]([C:10](=[O:12])[NH:44][CH2:43][c:35]2[o:34][c:38]3[c:37]([n:36]2)[cH:42][cH:41][cH:40][cH:39]3)[OH:13])[NH:14][C:15]([c:16]2[c:17](-[n:22]3[n:23][c:24](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[cH:25][cH:26]3)[n:18][cH:19][cH:20][cH:21]2)=[O:33])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

3

Reactant 2

HCID 14155281-(1,3-Benzoxazol-2-yl)methanamineHCID 672381942-hydroxy-4-phenyl-3-(2-(3-phenyl-1H-pyrazol-1-yl)nicotinamido)butanoic acid

Product 1

HCID 67240594N-(4-(Benzo[d]oxazol-2-ylmethylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide

Sources & evidence

ORD record
ord-94008c4409e24a7fb47b762b8e307965
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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