4-Cyclohexylbenzene-1-thiol → 6-[4-(4-Cyclohexyl-phenylmercapto)-butoxy]-4,4-di-n-hexyl-4H-3,1-benzoxazin-2-one
Reaction equation
[CH:30]1([c:36]2[cH:37][cH:38][c:39]([SH:42])[cH:40][cH:41]2)[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:29]1)[C:12]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:13][C:14](=[O:16])[NH:15]2>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:29]1)[C:12]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:13][C:14](=[O:16])[NH:15]2)[S:42][c:39]1[cH:38][cH:37][c:36]([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[cH:41][cH:40]1Participants
3
Sources & evidence
- ORD record
- ord-af35243791674a8aaca433b4ff6c6b7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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