Acetate → (RS)-1-[4-(2-amino-4,5-dihydro-oxazol-4-yl)-phenyl]-3-(4-chloro-phenyl)-urea

Reaction equation

[CH3:23][C:24](=[O:25])[O-:26].[CH3:31][OH:32].[N:27]#[C:28][Br:29].[NH2:1][CH:2]([CH2:3][OH:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:9][cH:10]1.[NH3:30].[Na+:22]>>[N:1]1=[C:28]([NH2:27])[O:4][CH2:3][CH:2]1[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:9][cH:10]1

Participants

Reactant 6

HCID 10476Cyanogen Bromide

HCID 671515521-[4-(1-Amino-2-hydroxy-ethyl)-phenyl]-3-(4-chloro-phenyl)-urea

Product 1

HCID 67151606(RS)-1-[4-(2-amino-4,5-dihydro-oxazol-4-yl)-phenyl]-3-(4-chloro-phenyl)-urea

Sources & evidence

ORD record: ord-fdf99764402e4ed691867ac6738288e1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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