Hydrochloric Acid → {4-[5-(Butane-1-sulfonyl)-thiazol-2-yl]-piperazin-1-yl}-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone
Reaction equation
[CH2:19]([CH2:20][CH2:21][CH3:22])[S:23](=[O:24])(=[O:25])[c:26]1[cH:27][n:28][c:29]([N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[s:30]1.[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1.[ClH:18]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:9])[N:34]2[CH2:33][CH2:32][N:31]([c:29]3[n:28][cH:27][c:26]([S:23]([CH2:19][CH2:20][CH2:21][CH3:22])(=[O:24])=[O:25])[s:30]3)[CH2:36][CH2:35]2)[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1Participants
4
Sources & evidence
- ORD record
- ord-7ce0b3fcb8d84ebcbe791cc625d4dc80
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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