Diethanolamine → 2-[{5-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl}-(2-hydroxy-ethyl)-amino]-ethanol
Reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17]#[C:18][CH2:19][CH2:20][CH2:21][O:22][S:23]([CH3:24])(=[O:25])=[O:26])[cH:16]3)[cH:6][cH:7]1.[OH:27][CH2:28][CH2:29][NH:30][CH2:31][CH2:32][OH:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17]#[C:18][CH2:19][CH2:20][CH2:21][N:30]([CH2:29][CH2:28][OH:27])[CH2:31][CH2:32][OH:33])[cH:16]3)[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-17debec8d0214eed971355435d2540f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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