Chloride → Di-tert-butyl (3-(3-(4-((pyridin-2-yloxy)methyl)benzyl)isoxazol-5-yl)pyridin-2-yl)imidodicarbonate

HRID 123745Notes

Reaction equation

HRID 123745 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[c:16]1[n:17][cH:18][cH:19][cH:20][c:21]1-[c:22]1[cH:23][c:24]([CH2:27][Cl:28])[n:25][o:26]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][O:63][CH2:64][CH2:65][O:66][CH3:67].[Cl-:53].[Cs+:50].[Cs+:51].[Cu:54][I:55].[Na+:52].[n:29]1[c:30]([O:35][CH2:36][c:37]2[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]2)[cH:31][cH:32][cH:33][cH:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[c:16]1[n:17][cH:18][cH:19][cH:20][c:21]1-[c:22]1[cH:23][c:24]([CH2:27][c:40]2[cH:39][cH:38][c:37]([CH2:36][O:35][c:30]3[n:29][cH:34][cH:33][cH:32][cH:31]3)[cH:42][cH:41]2)[n:25][o:26]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 104967Cesium cation2×HCID 44159845(4-((Pyridin-2-yloxy)methyl)phenyl)boronic acidHCID 57867420Di-tert-butyl {3-[3-(chloromethyl)isoxazol-5-yl]pyridin-2-yl}imidodicarbonate

Product 1

HCID 25114167Di-tert-butyl (3-(3-(4-((pyridin-2-yloxy)methyl)benzyl)isoxazol-5-yl)pyridin-2-yl)imidodicarbonate

Sources & evidence

ORD record
ord-8d2f9ffaaabe48628f78c73e581b2a68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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