Hydrochloric Acid → 3-({4-[(4-Acetyl-3-hydroxy-2-methyl-phenylamino)-methyl]-phenyl}-hydroxy-methyl)-benzonitrile
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:35])[c:6]([CH3:34])[c:7]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([CH:18]([c:19]3[cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26]3)[O:27][CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32][O:33]3)[cH:16][cH:17]2)[cH:8][cH:9]1.[CH3:37][OH:38].[ClH:36]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:35])[c:6]([CH3:34])[c:7]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([CH:18]([c:19]3[cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26]3)[OH:27])[cH:16][cH:17]2)[cH:8][cH:9]1Participants
4
Sources & evidence
- ORD record
- ord-1fe6bf33610f464ba4b4a5f4755d20ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)