Acetic Acid → HCID 68467418, compound
Reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:30][NH:31][CH3:32].[CH3:33][C:34](=[O:35])[OH:36].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][c:9](-[c:11]3[cH:12][n:13][cH:14][c:15]([C:16]#[N:17])[c:18]3[NH:19][c:20]3[c:21]4[cH:22][cH:23][nH:24][c:25]4[cH:26][cH:27][cH:28]3)[s:10]2)[cH:29]1>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][c:9](-[c:11]3[cH:12][n:13][cH:14][c:15]([C:16]#[N:17])[c:18]3[NH:19][c:20]3[c:21]4[cH:22][cH:23][nH:24][c:25]4[cH:26][cH:27][cH:28]3)[s:10]2)[cH:29]1)[N:31]([CH3:30])[CH3:32]Participants
5
Sources & evidence
- ORD record
- ord-d073fabedafd410494104850f4fdeeaf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)