Ethanol → 3-(4-{[3-(3-Fluorophenyl)(1,2,4-oxadiazol-5-yl)]methyl}piperazinyl)-1-(2-methylbenzothiazol-5-yloxy)propan-2-ol

HRID 286262Notes

Reaction equation

HRID 286262 reaction equation
[CH3:15][c:16]1[s:17][c:18]2[c:19]([n:20]1)[cH:21][c:22]([O:25][CH2:26][CH:27]([CH2:28][N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1)[OH:35])[cH:23][cH:24]2.[CH3:45][CH2:46][OH:47].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:1][CH2:2][c:3]1[n:4][c:5](-[c:8]2[cH:9][c:10]([F:14])[cH:11][cH:12][cH:13]2)[n:6][o:7]1>>[CH2:2]([c:3]1[n:4][c:5](-[c:8]2[cH:9][c:10]([F:14])[cH:11][cH:12][cH:13]2)[n:6][o:7]1)[N:32]1[CH2:31][CH2:30][N:29]([CH2:28][CH:27]([CH2:26][O:25][c:22]2[cH:21][c:19]3[c:18]([s:17][c:16]([CH3:15])[n:20]3)[cH:24][cH:23]2)[OH:35])[CH2:34][CH2:33]1

Participants

5

Reactant 4

HCID 702EthanolHCID 81531DiisopropylethylamineHCID 167362485-(Chloromethyl)-3-(3-fluorophenyl)-1,2,4-oxadiazoleHCID 219116911-(2-Methylbenzothiazol-5-yloxy)-3-piperazin-1-ylpropan-2-ol

Product 1

HCID 220642073-(4-{[3-(3-Fluorophenyl)(1,2,4-oxadiazol-5-yl)]methyl}piperazinyl)-1-(2-methylbenzothiazol-5-yloxy)propan-2-ol

Sources & evidence

ORD record
ord-ce69a289a1ee430688b99abdd97c1abb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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