Acetate → 3-nitro-N-[3-(2-pyridin-4-ylethenyl)phenyl]pyridin-2-amine

HRID 303221Notes

Reaction equation

HRID 303221 reaction equation
[C:26](=[O:27])([OH:28])[O-:29].[CH3:32][CH2:33][CH2:34][CH2:35][N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:18](=[CH2:19])[c:20]1[cH:21][cH:22][n:23][cH:24][cH:25]1.[Cl-:31].[I:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][cH:11][cH:12][cH:13][c:14]2[N+:15](=[O:16])[O-:17])[cH:5][cH:6][cH:7]1.[Na+:30].[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[Pd+2:54]>>[c:2]1([CH:19]=[CH:18][c:20]2[cH:21][cH:22][n:23][cH:24][cH:25]2)[cH:3][c:4]([NH:8][c:9]2[n:10][cH:11][cH:12][cH:13][c:14]2[N+:15](=[O:16])[O-:17])[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 75024-VinylpyridineHCID 16028TetrabutylammoniumHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 227244832-(3-Iodophenylamino)-3-nitropyridine

Product 1

HCID 538882033-nitro-N-[3-(2-pyridin-4-ylethenyl)phenyl]pyridin-2-amine

Sources & evidence

ORD record
ord-092ac5f2d19d4bbea5c115024f683517
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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