3,4-Dichlorobenzenethiol → 6-[4-(3,4-Dichloro-phenylmercapto)-butoxy]-4,4-di-n-hexyl-4H-3,1-benzoxazin-2-one
Reaction equation
[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.[Cl:30][c:31]1[cH:32][c:33]([SH:38])[cH:34][cH:35][c:36]1[Cl:37]>>[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:38][c:33]1[cH:32][c:31]([Cl:30])[c:36]([Cl:37])[cH:35][cH:34]1Participants
3
Sources & evidence
- ORD record
- ord-d70a1a67c7ba46ab9ac6f907f16c9d27
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…