Acetic Acid → HCID 57864138, compound
Reaction equation
[CH3:27][n:28]1[n:29][cH:30][cH:31][c:32]1[CH:33]=[O:34].[CH3:36][n+:37]1[cH:38][cH:39][n:40]([CH3:41])[cH:42]1.[CH3:48][C:49](=[O:50])[OH:51].[Cl-:35].[Cl:3][c:4]1[cH:5][c:6]([S:11][c:12]2[cH:13][c:14]([C:18]3([C:24](=[O:25])[NH2:26])[CH2:19][CH2:20][O:21][CH2:22][CH2:23]3)[cH:15][cH:16][cH:17]2)[cH:7][n:8][c:9]1[Cl:10].[H-:1].[Na+:2].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:52]>>[Cl:3][c:4]1[cH:5][c:6]([S:11][c:12]2[cH:13][c:14]([C:18]3([C:24](=[O:25])[NH2:26])[CH2:19][CH2:20][O:21][CH2:22][CH2:23]3)[cH:15][cH:16][cH:17]2)[cH:7][n:8][c:9]1[C:33]([c:32]1[n:28]([CH3:27])[n:29][cH:30][cH:31]1)=[O:34]Participants
10
Sources & evidence
- ORD record
- ord-b389cf05196346068cc6d303e3e69f8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…