Benzene → 2-[4-[2-[(4-amino-3,5-dichloro-beta-hydroxyphenethyl)amino]propyl]phenoxymethyl]-5-hydroxy-4H-pyran-4-one
Reaction equation
[CH2:1]([C:2](=[O:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[o:12][cH:13][c:14]([OH:18])[c:15](=[O:17])[cH:16]2)[cH:19][cH:20]1.[NH2:21][c:22]1[c:23]([Cl:33])[cH:24][c:25]([CH:29]([CH2:30][NH2:31])[OH:32])[cH:26][c:27]1[Cl:28].[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[CH2:1]([CH:2]([CH3:4])[NH:31][CH2:30][CH:29]([c:25]1[cH:24][c:23]([Cl:33])[c:22]([NH2:21])[c:27]([Cl:28])[cH:26]1)[OH:32])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[o:12][cH:13][c:14]([OH:18])[c:15](=[O:17])[cH:16]2)[cH:19][cH:20]1Participants
4
Sources & evidence
- ORD record
- ord-c95da64930204c18a40daa98225273bb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)