Ethanol → p-[(1RS, 2RS)-1-(10-hexylthiodecyl)-6-hydroxy-1,2,3,4-tetrahydronaphth-2-yl]benzoic acid
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[S:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH:18]1[CH:19]([c:29]2[cH:30][cH:31][c:32]([C:33](=[O:34])[N:35]([CH3:36])[CH3:37])[cH:38][cH:39]2)[CH2:20][CH2:21][c:22]2[cH:23][c:24]([OH:28])[cH:25][cH:26][c:27]21.[CH3:40][CH2:41][OH:42]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[S:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH:18]1[CH:19]([c:29]2[cH:30][cH:31][c:32]([C:33](=[O:34])[OH:42])[cH:38][cH:39]2)[CH2:20][CH2:21][c:22]2[cH:23][c:24]([OH:28])[cH:25][cH:26][c:27]21Participants
3
Sources & evidence
- ORD record
- ord-db6f697b85254f1da62c56f3b587ca49
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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