Acetic Acid → HCID 75096416, compound
Reaction equation
[CH3:1][S:2][CH2:3][CH2:4][CH2:5][NH:6][C:7](=[O:8])[CH:9]1[NH:10][CH:11]([CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:12]([C:21]#[N:22])([c:23]2[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]2)[CH:13]1[c:14]1[cH:15][c:16]([Cl:20])[cH:17][cH:18][cH:19]1.[CH3:35][C:36]([OH:37])=[O:38].[Cl:42][CH2:43][Cl:44].[OH2:41].[OH:39][OH:40].[Zn:45]>>[CH3:1][S:2]([CH2:3][CH2:4][CH2:5][NH:6][C:7](=[O:8])[CH:9]1[NH:10][CH:11]([CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:12]([C:21]#[N:22])([c:23]2[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]2)[CH:13]1[c:14]1[cH:15][c:16]([Cl:20])[cH:17][cH:18][cH:19]1)(=[O:37])=[O:41]Participants
7
Sources & evidence
- ORD record
- ord-63052100470e44f08fda9d8796fe84ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…