Acetate → 2-Amino-5-cyano-N,3-dimethylbenzamide

HRID 1539017Notes

Reaction equation

HRID 1539017 reaction equation
[C-:59]#[N:60].[C-:62]#[N:63].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:64][C:65](=[O:66])[OH:67].[NH2:31][c:32]1[c:33]([C:34](=[O:35])[NH:36][CH3:37])[cH:38][c:39]([Br:43])[cH:40][c:41]1[CH3:42].[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[Pd+2:49].[Zn+2:61].[Zn:58].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[NH2:31][c:32]1[c:33]([C:34](=[O:35])[NH:36][CH3:37])[cH:38][c:39]([C:44]#[N:45])[cH:40][c:41]1[CH3:42]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 176Acetic AcidHCID 5975Cyanide2×HCID 6228DimethylformamideHCID 23994ZincHCID 32051Zinc(2+)HCID 821241,4-Bis(diphenylphosphino)butaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 442275752-amino-5-bromo-N,3-dimethylbenzamide

Product 1

HCID 251572822-Amino-5-cyano-N,3-dimethylbenzamide

Sources & evidence

ORD record
ord-718f4bccca704d1e89340ae99ec66042
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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