Acetic Acid → HCID 59398189, compound
Reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([N:23]([CH:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1)[CH2:30][c:31]1[cH:32][c:33]2[c:34]([cH:39][cH:40]1)[O:35][CH2:36][CH2:37][O:38]2)=[O:41].[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[C:56](=[O:57])([O-:58])[OH:59].[CH3:61][C:62](=[O:63])[OH:64].[CH:65]([Cl:66])([Cl:67])[Cl:68].[Cl:1][c:2]1[cH:3][c:4](=[O:16])[n:5]([CH2:13][CH:14]=[O:15])[c:6]2[cH:7][c:8]([F:12])[cH:9][cH:10][c:11]12.[Na+:55].[Na+:60]>>[Cl:1][c:2]1[cH:3][c:4](=[O:16])[n:5]([CH2:13][CH2:14][N:27]2[CH2:26][CH2:25][CH:24]([N:23]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:41])[CH2:30][c:31]3[cH:32][c:33]4[c:34]([cH:39][cH:40]3)[O:35][CH2:36][CH2:37][O:38]4)[CH2:29][CH2:28]2)[c:6]2[cH:7][c:8]([F:12])[cH:9][cH:10][c:11]12Participants
8
Sources & evidence
- ORD record
- ord-c17f1393f7cb4d47b36f0ca44e27a7cf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…