Acetate → HCID 57799866, compound

HRID 192976Notes

Reaction equation

HRID 192976 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[Cl:1][c:2]1[n:3][c:4]([NH:14][c:15]2[n:16][nH:17][c:18]([CH3:20])[cH:19]2)[cH:5][c:6]2[cH:7][c:8]([O:12][CH3:13])[cH:9][cH:10][c:11]12.[Cs+:34].[Cs+:35].[NH2:21][c:22]1[cH:23][cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29]1.[O-:43][C:44]([CH3:45])=[O:46].[O-:47][C:48]([CH3:49])=[O:50].[Pd+2:42]>>[c:2]1([NH:21][c:22]2[cH:23][cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29]2)[n:3][c:4]([NH:14][c:15]2[n:16][nH:17][c:18]([CH3:20])[cH:19]2)[cH:5][c:6]2[cH:7][c:8]([O:12][CH3:13])[cH:9][cH:10][c:11]12

Participants

9

Reactant 8

HCID 175Acetate2×HCID 13387N-methyl-2-pyrrolidoneHCID 133964-AminobenzonitrileHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57799674(1-chloro-6-methoxy-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine

Product 1

HCID 57799866HCID 57799866, compound

Sources & evidence

ORD record
ord-f5ebc42803904cc18003fd5702127c3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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