Bicarbonate Ion → Tert-butyl 4-[3-bromo-2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxylate

HRID 155077Notes

Reaction equation

HRID 155077 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[c:10]1[CH3:11].[C:63](=[O:64])([OH:65])[O-:66].[CH3:56][N:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[NH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Na+:67].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:8][c:9]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[c:10]1[CH3:11]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6115AnilineHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 692446843-Bromo-4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid

Product 1

HCID 69245997Tert-butyl 4-[3-bromo-2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-08b96bafaf39497381485c02c7d36bbc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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