Acetic Acid → HCID 20295988, compound
Reaction equation
[CH3:22][C:23](=[O:24])[OH:25].[Cl:1][c:2]1[c:3]([CH:4]=[O:5])[c:6]([Cl:10])[cH:7][cH:8][cH:9]1.[K:26][C:27]#[N:28].[OH2:29].[cH:11]1[c:12]([NH2:21])[cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12>>[Cl:1][c:2]1[c:3]([CH:4]([NH:21][c:12]2[cH:11][c:20]3[c:15]([cH:14][cH:13]2)[cH:16][cH:17][cH:18][cH:19]3)[C:27]#[N:28])[c:6]([Cl:10])[cH:7][cH:8][cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-ee93fb43231940edb41d951641c0d255
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…