Potassium Cation → tert-butyl N-[4-[[1-amino-3-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate

HRID 1148461

Reaction equation

HRID 1148461 reaction equation
[Br:38][c:39]1[cH:40][cH:41][c:42]2[c:43]([n:44]([CH3:48])[c:45](=[O:47])[o:46]2)[cH:49]1.[C:50](=[O:51])([O-:52])[O-:53].[CH3:56][C:57]#[N:58].[K+:54].[K+:55].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[C:23]1([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:37]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:39]2[cH:40][cH:41][c:42]3[c:43]([n:44]([CH3:48])[c:45](=[O:47])[o:46]3)[cH:49]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[C:23]1([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:37]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 3374695-bromo-3-methyl-3H-benzooxazol-2-oneHCID 66645178tert-butyl N-[4-[[1-amino-1-oxo-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]carbamoyl]oxan-4-yl]carbamate

Product 1

HCID 72328343tert-butyl N-[4-[[1-amino-3-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate

Sources & evidence

ORD record
ord-524c70c11fb443aaadfa16ba97537a03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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