Acetic Acid → HCID 76568106, compound
Reaction equation
[CH3:29][C:30]([OH:31])=[O:32].[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH3:64][C:65]#[N:66].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[ClH:44].[NH2:1][c:2]1[c:3]([CH:9]2[CH2:10][C:11](=[O:28])[NH:12][CH:13]([C:25](=[CH2:26])[CH3:27])[C:14]23[C:15](=[O:24])[NH:16][c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][c:22]23)[cH:4][c:5]([Cl:8])[cH:6][cH:7]1.[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[NH:1]([c:2]1[c:3]([CH:9]2[CH2:10][C:11](=[O:28])[NH:12][CH:13]([C:25](=[CH2:26])[CH3:27])[C:14]23[C:15](=[O:24])[NH:16][c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][c:22]23)[cH:4][c:5]([Cl:8])[cH:6][cH:7]1)[C:30]([CH3:29])=[O:31]Participants
8
Sources & evidence
- ORD record
- ord-a4235d4d347842fb97a1c1d5dd2686ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…