Ethanol → 1-[4-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
Reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]2[c:13]([cH:14][cH:15]1)[CH2:12][CH2:11][CH2:10]2.[CH3:16][c:17]1[s:18][c:19]2[c:20]([n:21]1)[cH:22][c:23]([O:26][CH2:27][CH:28]([CH2:29][N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1)[OH:36])[cH:24][cH:25]2.[CH3:46][CH2:47][OH:48].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45]>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]2[c:13]([cH:14][cH:15]1)[CH2:12][CH2:11][CH2:10]2)[N:33]1[CH2:32][CH2:31][N:30]([CH2:29][CH:28]([CH2:27][O:26][c:23]2[cH:22][c:20]3[c:19]([s:18][c:17]([CH3:16])[n:21]3)[cH:25][cH:24]2)[OH:36])[CH2:35][CH2:34]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-f67a2f8a327646d4bc5b66a557a44e79
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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