Ethanol → Tert-butyl 4-(2-(4-(ethoxycarbonyl)phenoxy)pyridin-3-YL)-5,6-dihydropyridine-1(2H)-carboxylate

HRID 677259Notes

Reaction equation

HRID 677259 reaction equation
[Br:1][c:2]1[c:3]([O:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][cH:19]2)[n:4][cH:5][cH:6][cH:7]1.[CH3:20][C:21]1([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26][B:27]([C:28]2=[CH:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]2)[O:41]1.[CH3:48][O:49][CH2:50][CH2:51][O:52][CH3:53].[CH3:54][CH2:55][OH:56].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH2:57]>>[c:2]1([C:28]2=[CH:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]2)[c:3]([O:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][cH:19]2)[n:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 4642098Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateHCID 59327082HCID 59327082, compound

Product 1

HCID 59327113Tert-butyl 4-(2-(4-(ethoxycarbonyl)phenoxy)pyridin-3-YL)-5,6-dihydropyridine-1(2H)-carboxylate

Sources & evidence

ORD record
ord-9753f0c84ddc47d69ab67c9e39f4b3a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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