1-(2-Hydroxyethyl)piperazine → 2-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-5-[1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-thiazol-4-one
Reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:30]([F:31])([F:32])[F:33])[c:8]([CH2:9][n:10]2[n:11][cH:12][c:13]3[cH:14][c:15]([CH:19]=[C:20]4[C:21](=[O:27])[N:22]=[C:23]([S:25][CH3:26])[S:24]4)[cH:16][cH:17][c:18]23)[cH:28][cH:29]1.[N:34]1([CH2:40][CH2:41][OH:42])[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:30]([F:31])([F:32])[F:33])[c:8]([CH2:9][n:10]2[n:11][cH:12][c:13]3[cH:14][c:15]([CH:19]=[C:20]4[C:21](=[O:27])[N:22]=[C:23]([N:37]5[CH2:36][CH2:35][N:34]([CH2:40][CH2:41][OH:42])[CH2:39][CH2:38]5)[S:24]4)[cH:16][cH:17][c:18]23)[cH:28][cH:29]1Participants
3
Sources & evidence
- ORD record
- ord-26281c6b64c94cffbd13d72cae1ebe8e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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