Acetate → Diethyl 2-[(4-amino-3-methyl-2-nitrophenyl)methylidene]butanedioate

HRID 1539876Notes

Reaction equation

HRID 1539876 reaction equation
[C:13]([C:14](=[CH2:15])[CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])(=[O:22])[O:23][CH2:24][CH3:25].[C:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH3:39][CH2:40][CH2:41][CH2:42][N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55].[Cl-:38].[I:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[c:4]([CH3:9])[c:5]([NH2:8])[cH:6][cH:7]1.[Pd+2:60]>>[c:2]1([CH:15]=[C:14]([C:13](=[O:22])[O:23][CH2:24][CH3:25])[CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:3]([N+:10](=[O:11])[O-:12])[c:4]([CH3:9])[c:5]([NH2:8])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 312ChlorideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 16028TetrabutylammoniumHCID 75481Ethyl itaconateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 597319804-Iodo-2-methyl-3-nitrobenzenamine

Product 1

HCID 67319142Diethyl 2-[(4-amino-3-methyl-2-nitrophenyl)methylidene]butanedioate

Sources & evidence

ORD record
ord-06f74ae2da4d41a2bd4a927e76d3ce0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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