Acetate → 6-(N-(4-bromobutyl)methylsulfonamido)-5-cyclopropyl-N-methyl-2-(p-tolyl)furo[2,3-b]pyridine-3-carboxamide

HRID 151257Notes

Reaction equation

HRID 151257 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]([S:7](=[O:8])(=[O:9])[CH3:10])[c:11]1[c:12]([I:31])[cH:13][c:14]2[c:15]([n:16]1)[o:17][c:18](-[c:24]1[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]1)[c:19]2[C:20](=[O:21])[NH:22][CH3:23].[C:32](=[O:33])([O-:34])[O-:35].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:38]1([B:41]([OH:42])[OH:43])[CH2:39][CH2:40]1.[Na+:36].[Na+:37].[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[Pd+2:51]>>[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]([S:7](=[O:8])(=[O:9])[CH3:10])[c:11]1[c:12]([CH:38]2[CH2:39][CH2:40]2)[cH:13][c:14]2[c:15]([n:16]1)[o:17][c:18](-[c:24]1[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]1)[c:19]2[C:20](=[O:21])[NH:22][CH3:23]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 580522976-(N-(4-bromobutyl)methylsulfonamido)-5-iodo-N-methyl-2-(p-tolyl)furo[2,3-b]pyridine-3-carboxamide

Product 1

HCID 545758766-(N-(4-bromobutyl)methylsulfonamido)-5-cyclopropyl-N-methyl-2-(p-tolyl)furo[2,3-b]pyridine-3-carboxamide

Sources & evidence

ORD record
ord-ab695c5a550c4e788df2cdc8ae42cc86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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