Chloride → 5-phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

HRID 2333724Notes

Reaction equation

HRID 2333724 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:8]([n:9][cH:10]1)[NH:7][C:6](=[O:11])[CH2:5]2.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][CH2:37][OH:38].[CH3:84][CH2:85][O:86][CH2:87][CH3:88].[CH:39]([Cl:40])([Cl:41])[Cl:42].[Cl-:28].[Li+:27].[Na+:21].[Na+:22].[O-:23][C:24](=[O:25])[O-:26].[OH:12][B:13]([OH:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[Pd:43]([Cl:44])[Cl:45].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[c:2]1(-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:3][c:4]2[c:8]([n:9][cH:10]1)[NH:7][C:6](=[O:11])[CH2:5]2

Participants

13

Reactant 12

HCID 312ChlorideHCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 3283Diethyl EtherHCID 6212ChloroformHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 28486Lithium ionHCID 66827Phenylboronic AcidHCID 155040625-bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one

Product 1

HCID 155040635-phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

Sources & evidence

ORD record
ord-b2815bbfa4804af69c354df511df4e4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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