Acetate → Ethyl 3-[2-amino-4-(4-nitrophenoxy)-3-pyridinyl]prop-2-enoate

HRID 1548782Notes

Reaction equation

HRID 1548782 reaction equation
[C:19]([CH:20]=[CH2:21])(=[O:22])[O:23][CH2:24][CH3:25].[CH3:26][CH2:27][CH2:28][CH2:29][N:30]([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38].[CH3:39][C:40]([CH3:41])=[O:42].[I:1][c:2]1[c:3]([NH2:18])[n:4][cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]1.[O-:44][C:45]([CH3:46])=[O:47].[O-:48][C:49]([CH3:50])=[O:51].[OH2:52].[Pd+2:43]>>[c:2]1([CH:21]=[CH:20][C:19](=[O:22])[O:23][CH2:24][CH3:25])[c:3]([NH2:18])[n:4][cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 180AcetoneHCID 962WaterHCID 7622TributylamineHCID 8821Ethyl AcrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 229363343-Iodo-4-(4-nitrophenoxy)-2-pyridinamine

Product 1

HCID 67203992Ethyl 3-[2-amino-4-(4-nitrophenoxy)-3-pyridinyl]prop-2-enoate

Sources & evidence

ORD record
ord-e7d7e2800dc84c9280445bc1a8867a6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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