Trifluoroacetic acid → 2-[4-[3-(1,4-Diazepan-1-yl)propoxy]phenyl]-5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazole

HRID 295999Notes

Reaction equation

HRID 295999 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:15][CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[o:26][c:27]([CH2:30][S:31][CH2:32][CH2:33][O:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[n:28][n:29]3)[cH:23][cH:24]2)[CH2:12][CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:15][CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[o:26][c:27]([CH2:30][S:31][CH2:32][CH2:33][O:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[n:28][n:29]3)[cH:23][cH:24]2)[CH2:12][CH2:13][CH2:14]1

Participants

3

Reactant 2

HCID 6422Trifluoroacetic acidHCID 58884772Tert-butyl 4-[3-[4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenoxy]propyl]-1,4-diazepane-1-carboxylate

Product 1

HCID 211084842-[4-[3-(1,4-Diazepan-1-yl)propoxy]phenyl]-5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazole

Sources & evidence

ORD record
ord-c2a79cffad954198857dad1923e9d766
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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