Hydrochloric Acid → Diethyl(5-isoxazolylmethyl)phosphonate

HRID 207819Notes

Reaction equation

HRID 207819 reaction equation
[CH:15]12[CH:16]([CH:22]=[CH:23][c:24]3[cH:25][c:26]([C:29]([O:30][CH2:31][CH3:32])=[O:33])[n:27][o:28]3)[CH2:17][CH:18]([CH2:19][CH2:20]1)[NH:21]2.[CH:34]12[NH:35][CH:36]([CH2:37][CH2:38]1)[CH2:39][CH:40]2[CH:41]=[CH:42][c:43]1[o:44][n:45][c:46]([C:47]([O:48][CH2:49][CH3:50])=[O:51])[cH:52]1.[CH:53]12[NH:54][CH:55]([CH2:56][CH2:57]1)[CH2:58][CH2:59]2.[ClH:60].[o:1]1[n:2][cH:3][cH:4][c:5]1[CH2:6][P:7]([O:8][CH2:9][CH3:10])([O:11][CH2:12][CH3:13])=[O:14]>>[CH:15]12[CH:16]([CH:22]=[CH:23][c:24]3[cH:25][cH:26][n:27][o:28]3)[CH2:17][CH:18]([CH2:19][CH2:20]1)[NH:21]2.[o:1]1[n:2][cH:3][cH:4][c:5]1[CH2:6][P:7]([O:8][CH2:9][CH3:10])([O:11][CH2:12][CH3:13])=[O:14]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 1360937-Azabicyclo(2.2.1)heptaneHCID 11378989Diethyl(5-isoxazolylmethyl)phosphonateHCID 91215655Ethyl 5-[2-(7-azabicyclo[2.2.1]heptan-2-yl)ethenyl]-1,2-oxazole-3-carboxylate2×

Product 2

HCID 11378989Diethyl(5-isoxazolylmethyl)phosphonateHCID 695887205-[2-(7-Azabicyclo[2.2.1]heptan-2-yl)ethenyl]-1,2-oxazole

Sources & evidence

ORD record
ord-0214ab37e3624d9b8fdfddfba56f6fac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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