Trimethylamine → Chloride

HRID 164270Notes

Reaction equation

HRID 164270 reaction equation
[C:40]([O:41][CH2:42][CH3:43])(=[O:44])[CH3:45].[C:46](#[N:47])[CH3:48].[CH3:36][N:37]([CH3:38])[CH3:39].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[O:9][c:10]2[c:11]([CH2:17][n:18]3[c:19](=[O:33])[o:20][c:21](-[c:23]4[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]4)[n:22]3)[cH:12][c:13]([Cl:16])[cH:14][cH:15]2)[cH:34][cH:35]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[O:9][c:10]2[c:11]([CH2:17][n:18]3[c:19](=[O:33])[o:20][c:21](-[c:23]4[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]4)[n:22]3)[cH:12][c:13]([Cl:16])[cH:14][cH:15]2)[cH:34][cH:35]1)[N+:37]([CH3:36])([CH3:38])[CH3:39].[Cl-:1]

Participants

6

Reactant 4

HCID 1146TrimethylamineHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 218521004-Chloro-2-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-2-oxo-1,3,4-oxadiazol-3-yl]methyl]phenyl 4-(chloromethyl)benzoate

Product 2

HCID 312ChlorideHCID 9808418[4-[4-Chloro-2-[[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-3-yl]methyl]phenoxy]carbonylphenyl]methyl-trimethylazanium

Sources & evidence

ORD record
ord-0b89f411a75640aa9ff4eb23e18d1d2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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