Acetic Acid → methyl 1-[[4-[5-(5,6-difluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]phenyl]methyl]piperidine-4-carboxylate

HRID 2331019Notes

Reaction equation

HRID 2331019 reaction equation
[C:42]([BH3-:43])#[N:44].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:38][C:39](=[O:40])[OH:41].[CH3:56][OH:57].[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][c:10]1[F:11])[NH:7][C:6](=[O:12])[C:5]2=[C:13]1[CH:14]=[C:15]([c:20]2[cH:21][cH:22][c:23]([CH:24]=[O:25])[cH:26][cH:27]2)[C:16]([CH3:18])([CH3:19])[O:17]1.[NH:28]1[CH2:29][CH2:30][CH:31]([C:32](=[O:33])[O:34][CH3:35])[CH2:36][CH2:37]1.[Na+:45].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:58]>>[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][c:10]1[F:11])[NH:7][C:6](=[O:12])[C:5]2=[C:13]1[CH:14]=[C:15]([c:20]2[cH:21][cH:22][c:23]([CH2:24][N:28]3[CH2:29][CH2:30][CH:31]([C:32](=[O:33])[O:34][CH3:35])[CH2:36][CH2:37]3)[cH:26][cH:27]2)[C:16]([CH3:18])([CH3:19])[O:17]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 424914Methyl isonipecotateHCID 498716Cyano-borohydrideHCID 724647574-[5-(5,6-difluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]benzaldehyde

Product 1

HCID 69411976methyl 1-[[4-[5-(5,6-difluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]phenyl]methyl]piperidine-4-carboxylate

Sources & evidence

ORD record
ord-16336231b64e4a35875037dab2311dd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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