Acetate → 6-Amino-3,4-dimethoxy-2-(2-pyridyl)benzonitrile

HRID 1235388Notes

Reaction equation

HRID 1235388 reaction equation
[BH:34]([O-:35])[O:42][c:36]1[n:37][cH:38][cH:39][cH:40][cH:41]1.[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[K+:43].[K+:44].[NH2:1][c:2]1[cH:3][c:4]([O:13][CH3:14])[c:5]([O:11][CH3:12])[c:6]([I:10])[c:7]1[C:8]#[N:9].[O-:45][C:46]([O-:47])=[O:48].[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[OH2:58].[Pd+2:49].[c:15]1([P:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[NH2:1][c:2]1[cH:3][c:4]([O:13][CH3:14])[c:5]([O:11][CH3:12])[c:6](-[c:36]2[n:37][cH:38][cH:39][cH:40][cH:41]2)[c:7]1[C:8]#[N:9]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 155382846-Amino-2-iodo-3,4-dimethoxybenzonitrileHCID 178514833HCID 178514833, compound

Product 1

HCID 99430356-Amino-3,4-dimethoxy-2-(2-pyridyl)benzonitrile

Sources & evidence

ORD record
ord-b2bc691b239d4cb48b83005e004a1810
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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