Sodium ion → tert-butyl 4-(3-methoxy-4-nitrophenyl)-5,6-dihydropyridine-1(2H)-carboxylate

HRID 2327717Notes

Reaction equation

HRID 2327717 reaction equation
[CH2:42]([CH2:43][O:44][CH3:45])[O:46][CH3:47].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([C:9]2=[CH:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[O:22]1.[Cl:23][c:24]1[cH:25][c:26]([O:33][CH3:34])[c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:41].[Pd:48]([Cl:49])[Cl:50].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[C:9]1([c:24]2[cH:25][c:26]([O:33][CH3:34])[c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]2)=[CH:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 811105-Chloro-2-nitroanisoleHCID 4642098Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate

Product 1

HCID 56945492tert-butyl 4-(3-methoxy-4-nitrophenyl)-5,6-dihydropyridine-1(2H)-carboxylate

Sources & evidence

ORD record
ord-2ed7e15707ef4017a1f0b968588ecbee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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