Isonicotinic Acid → (3RS,4RS)-4-(1-tert-butoxycarbonyl-3-naphthalen-2-ylmethoxy-piperidin-4-yl)-benzyl pyridine-4-carboxylate

HRID 290339Notes

Reaction equation

HRID 290339 reaction equation
[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[CH3:79][C:80]#[N:81].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([O:22][CH2:23][c:24]3[cH:25][c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]4[cH:32][cH:33]3)[CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:7][cH:8]1.[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1.[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][P+:61]([N:62]([CH3:63])[CH3:64])([N:65]([CH3:66])[CH3:67])[N:68]([CH3:69])[CH3:70])[c:71]2[cH:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[O:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([O:22][CH2:23][c:24]3[cH:25][c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]4[cH:32][cH:33]3)[CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:7][cH:8]1)[C:35](=[O:34])[c:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1

Participants

7

Reactant 6

HCID 5922Isonicotinic AcidHCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 53699338tert-butyl (3RS,4RS)-4-(4-hydroxymethyl-phenyl)-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate

Product 1

HCID 22128497(3RS,4RS)-4-(1-tert-butoxycarbonyl-3-naphthalen-2-ylmethoxy-piperidin-4-yl)-benzyl pyridine-4-carboxylate

Sources & evidence

ORD record
ord-322b1cdfa7a34dbf96293149068ac7c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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