Acetate → 4-{[3-(4-Hydroxy-phenyl)-imidazo[1,2-a]pyrazin-8-ylamino]-methyl}-benzenesulfonamide

HRID 689453Notes

Reaction equation

HRID 689453 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]1[cH:7][cH:8][n:9][c:10]2[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([c:31]2[cH:32][cH:33][c:34]([OH:37])[cH:35][cH:36]2)[O:38]1.[Na+:43].[Na+:44].[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45].[Pd+2:51]>>[c:2]1(-[c:31]2[cH:32][cH:33][c:34]([OH:37])[cH:35][cH:36]2)[cH:3][n:4][c:5]2[n:6]1[cH:7][cH:8][n:9][c:10]2[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27346244-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolHCID 583371554-[(3-Bromo-imidazo[1,2-a]pyrazin-8-ylamino)-methyl]-benzenesulfonamide

Product 1

HCID 1359316414-{[3-(4-Hydroxy-phenyl)-imidazo[1,2-a]pyrazin-8-ylamino]-methyl}-benzenesulfonamide

Sources & evidence

ORD record
ord-525d97ea98e64aedb67d3c4e301d416f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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