Sodium ion → tert-Butyl 4-(5-(2-nitro-5-(thiophen-2-yl)phenylcarbamoyl)thiophen-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate

HRID 163265Notes

Reaction equation

HRID 163265 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][cH:16][c:17]([C:19](=[O:20])[OH:21])[s:18]2)=[CH:12][CH2:13]1.[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[H-:64].[N+:22](=[O:23])([O-:24])[c:25]1[c:26]([NH2:36])[cH:27][c:28](-[c:31]2[s:32][cH:33][cH:34][cH:35]2)[cH:29][cH:30]1.[Na+:65].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[cH:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1.[n:44]1([O:45][P+:46]([N:47]([CH3:48])[CH3:49])([N:50]([CH3:51])[CH3:52])[N:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][cH:16][c:17]([C:19](=[O:20])[NH:36][c:26]3[c:25]([N+:22](=[O:23])[O-:24])[cH:30][cH:29][c:28](-[c:31]4[s:32][cH:33][cH:34][cH:35]4)[cH:27]3)[s:18]2)=[CH:12][CH2:13]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 1049PyridineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 166653HydrideHCID 236564282-Nitro-5-(thiophen-2-yl)anilineHCID 597367605-(1-(Tert-butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxylic acid

Product 1

HCID 59736975tert-Butyl 4-(5-(2-nitro-5-(thiophen-2-yl)phenylcarbamoyl)thiophen-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate

Sources & evidence

ORD record
ord-1317192e5d3849479cfe68824291d9b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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