Hexitol → (1-{[(1-{3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid
Reaction equation
[CH2:43]([OH:44])[CH:45]([CH:46]([CH:47]([CH:48]([CH2:49][OH:50])[OH:51])[OH:52])[OH:53])[OH:54].[CH3:2][C:3]([CH3:4])([OH:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][c:11]1[CH2:12][CH2:13][CH:14]([S:15][CH2:16][C:17]1([CH2:20][C:21]([OH:22])=[O:23])[CH2:18][CH2:19]1)[c:24]1[cH:25][cH:26][cH:27][c:28]([CH:29]=[CH:30][c:31]2[cH:32][cH:33][c:34]3[cH:35][cH:36][c:37]([Cl:38])[cH:39][c:40]3[n:41]2)[cH:42]1.[Na:1]>>[CH3:2][C:3]([CH3:4])([OH:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][c:11]1[CH2:12][CH2:13][CH:14]([S:15][CH2:16][C:17]1([CH2:20][C:21](=[O:22])[OH:23])[CH2:18][CH2:19]1)[c:24]1[cH:25][cH:26][cH:27][c:28]([CH:29]=[CH:30][c:31]2[cH:32][cH:33][c:34]3[cH:35][cH:36][c:37]([Cl:38])[cH:39][c:40]3[n:41]2)[cH:42]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-7f5bc9688c6b46c2a9cdc78434b75ed9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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