Water → 3-(2-fluoropyridin-4-yl)-2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

HRID 668615Notes

Reaction equation

HRID 668615 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[Cs+:36].[Cs+:37].[F:16][c:17]1[n:18][cH:19][cH:20][c:21]([B:23]2[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]2)[cH:22]1.[OH2:38].[c:1]1(-[c:7]2[c:8]([I:15])[c:9]3[n:10]([n:11]2)[CH2:12][CH2:13][CH2:14]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[c:8](-[c:21]3[cH:20][cH:19][n:18][c:17]([F:16])[cH:22]3)[c:9]3[n:10]([n:11]2)[CH2:12][CH2:13][CH2:14]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 120601642-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineHCID 674378163-iodo-2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

Product 1

HCID 674388563-(2-fluoropyridin-4-yl)-2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

Sources & evidence

ORD record
ord-5e05bc6d366e4c8c8fc5f29dca7aa1ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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