Sodium ion → Tert-butyl 4-(2-chloro-4-((1-(quinolin-2-YL)azetidin-3-YL)oxy)pyrimidin-5-YL)-5,6-dihydropyridine-1(2H)-carboxylate

HRID 1132604Notes

Reaction equation

HRID 1132604 reaction equation
[Br:1][c:2]1[c:3]([O:9][CH:10]2[CH2:11][N:12]([c:14]3[n:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[cH:22][cH:23]3)[CH2:13]2)[n:4][c:5]([Cl:8])[n:6][cH:7]1.[C:24](=[O:25])([O-:26])[O-:27].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:30][C:31]1([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36][B:37]([C:38]2=[CH:39][CH2:40][N:41]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:42][CH2:43]2)[O:51]1.[Na+:28].[Na+:29].[OH2:58]>>[c:2]1([C:38]2=[CH:39][CH2:40][N:41]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:42][CH2:43]2)[c:3]([O:9][CH:10]2[CH2:11][N:12]([c:14]3[n:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[cH:22][cH:23]3)[CH2:13]2)[n:4][c:5]([Cl:8])[n:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 4642098Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateHCID 58547777HCID 58547777, compound

Product 1

HCID 58547741Tert-butyl 4-(2-chloro-4-((1-(quinolin-2-YL)azetidin-3-YL)oxy)pyrimidin-5-YL)-5,6-dihydropyridine-1(2H)-carboxylate

Sources & evidence

ORD record
ord-eefefc1596f24e438bc8d407a349649e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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