Water → 5-bromo-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid

HRID 111853Notes

Reaction equation

HRID 111853 reaction equation
[B:32]([F:33])([F:34])[F:35].[Br:22][N:23]1[C:24](=[O:25])[CH2:26][CH2:27][C:28]1=[O:29].[O:1]=[C:2]1[NH:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][c:12]1[c:13]([n:14][cH:15][c:16]([C:18](=[O:19])[OH:20])[cH:17]1)[CH2:21]2.[OH2:30].[OH2:31]>>[O:1]=[C:2]1[NH:3][c:4]2[n:5][cH:6][c:7]([Br:22])[cH:8][c:9]2[C:10]12[CH2:11][c:12]1[c:13]([n:14][cH:15][c:16]([C:18](=[O:19])[OH:20])[cH:17]1)[CH2:21]2

Participants

5

Reactant 4

HCID 962Water2×HCID 6356Boron trifluorideHCID 67184N-bromobutanimideHCID 775480982'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid

Product 1

HCID 775672385-bromo-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid

Sources & evidence

ORD record
ord-29996c138236443793586da1d9b6cd01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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