2-Methyl-2-butanol → 1-[(2-Methyl-1,3-benzothiazol-5-yl)oxy]-3-[4-[[5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperazin-1-yl]propan-2-ol

HRID 161276Notes

Reaction equation

HRID 161276 reaction equation
[C:46]([OH:47])([CH2:48][CH3:49])([CH3:50])[CH3:51].[CH3:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([O:11][CH2:12][CH:13]([CH2:14][N:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1)[OH:21])[cH:9][cH:10]2.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[Cl:29][CH2:30][C:31]1=[N:32][O:33][CH:34]([c:36]2[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]2)[CH2:35]1>>[CH3:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([O:11][CH2:12][CH:13]([CH2:14][N:15]1[CH2:16][CH2:17][N:18]([CH2:30][C:31]3=[N:32][O:33][CH:34]([c:36]4[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]4)[CH2:35]3)[CH2:19][CH2:20]1)[OH:21])[cH:9][cH:10]2

Participants

5

Reactant 4

HCID 64052-Methyl-2-butanolHCID 8471TriethylamineHCID 219116911-(2-Methylbenzothiazol-5-yloxy)-3-piperazin-1-ylpropan-2-olHCID 221846993-(Chloromethyl)-5-(4-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole

Product 1

HCID 103923421-[(2-Methyl-1,3-benzothiazol-5-yl)oxy]-3-[4-[[5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperazin-1-yl]propan-2-ol

Sources & evidence

ORD record
ord-ed56e0abde804e3395fff41ab53bce86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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