Acetate → tert-Butyl 4-(2-(4-aminophenoxy)pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

HRID 1145765Notes

Reaction equation

HRID 1145765 reaction equation
[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[c:27]([O:32][c:33]3[cH:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]3)[n:28][cH:29][cH:30][cH:31]2)[O:40]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:9][cH:10]2.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH2:62].[Pd+2:57]>>[c:2]1(-[c:26]2[c:27]([O:32][c:33]3[cH:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]3)[n:28][cH:29][cH:30][cH:31]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:9][cH:10]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 247767911-Boc-4-chloro-7-azaindoleHCID 574164444-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yloxy)benzenamine

Product 1

HCID 57756226tert-Butyl 4-(2-(4-aminophenoxy)pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Sources & evidence

ORD record
ord-ec13cd7810554b43b433bb081bac28fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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