Ammonium → 7a-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole

HRID 1223107Notes

Reaction equation

[B:27]([F:28])([F:29])[F:30].[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:10]1[O:9][C:8]([F:11])([F:12])[O:7]2.[CH2:22]([O:23][CH2:24][CH3:25])[CH3:26].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl-:31].[N:13]1=[C:17]2[CH:16]([CH2:15][O:14]1)[CH2:21][CH2:20][O:19][CH2:18]2.[NH4+:32]>>[c:2]1([C:17]23[NH:13][O:14][CH2:15][CH:16]2[CH2:21][CH2:20][O:19][CH2:18]3)[cH:3][cH:4][cH:5][c:6]2[c:10]1[O:9][C:8]([F:11])([F:12])[O:7]2

Participants

Reactant 8

HCID 223Ammonium

HCID 312Chloride

HCID 1140Toluene

HCID 3283Diethyl Ether

HCID 6356Boron trifluoride

HCID 8028Tetrahydrofuran

HCID 27732974-Bromo-2,2-difluoro-1,3-benzodioxole

HCID 574756753,3a,4,5-tetrahydro-7H-pyrano[3,4-c]isoxazole

Product 1

HCID 722453927a-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole

Sources & evidence

ORD record: ord-81277964f4b44e85b6b8cfa638303171
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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