Sodium ion → 5-(8-(Cyclohexylamino)imidazo[1,2-a]pyrazin-5-yl)isoindolin-1-one

HRID 119122

Reaction equation

HRID 119122 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([NH:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[c:6]2[n:7]1[cH:8][cH:9][n:10]2.[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[cH:27][c:28]3[c:32]([cH:33][cH:34]2)[C:31](=[O:35])[NH:30][CH2:29]3)[O:36]1.[CH3:72][CH2:73][O:74][CH2:75][CH3:76].[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[Pd:68].[Pd:69].[Pd:70].[Pd:71].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[c:2]1(-[c:26]2[cH:27][c:28]3[c:32]([cH:33][cH:34]2)[C:31](=[O:35])[NH:30][CH2:29]3)[cH:3][n:4][c:5]([NH:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[c:6]2[n:7]1[cH:8][cH:9][n:10]2

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 1140TolueneHCID 3283Diethyl EtherHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 23938Palladium4×HCID 312751,4-DioxaneHCID 219557955-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-oneHCID 576994875-bromo-N-cyclohexylimidazo[1,2-a]pyrazin-8-amine

Product 1

HCID 251153785-(8-(Cyclohexylamino)imidazo[1,2-a]pyrazin-5-yl)isoindolin-1-one

Sources & evidence

ORD record
ord-b513b4fadd664b9f81ebf23846d05ba4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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