Acetic Acid → HCID 25095102, compound
Reaction equation
[C:28]([CH3:29])(=[O:30])[OH:31].[C:2]12([CH2:12][NH:13][C:14](=[O:15])[c:16]3[c:17]4[n:18]([cH:19][cH:20][cH:21]3)[n:22][c:23]([CH2:25][C:26]#[N:27])[cH:24]4)[CH2:3][CH:4]3[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2.[ClH:1]>>[C:2]12([CH2:12][NH:13][C:14](=[O:15])[c:16]3[c:17]4[n:18]([cH:19][cH:20][cH:21]3)[n:22][c:23]([CH2:29][C:28](=[O:30])[OH:31])[cH:24]4)[CH2:3][CH:4]3[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2Participants
4
Sources & evidence
- ORD record
- ord-6aa87179dc534766b9af448503f7127c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…