Acetate → HCID 58679113, compound
Reaction equation
[CH3:35][C:36](=[O:37])[O-:38].[CH3:39][C:40](=[O:41])[OH:42].[Cl:43][CH2:44][C:45](=[O:46])[Cl:47].[NH2:1][c:2]1[c:3](-[c:16]2[c:17]([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)[c:18]3[c:19]([nH:20]2)[cH:21][c:22]([C:24](=[O:25])[O:26][CH3:27])[s:23]3)[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:7]1.[Na+:34].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:53]>>[NH:1]([c:2]1[c:3](-[c:16]2[c:17]([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)[c:18]3[c:19]([nH:20]2)[cH:21][c:22]([C:24](=[O:25])[O:26][CH3:27])[s:23]3)[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:7]1)[C:45]([CH2:44][Cl:43])=[O:46]Participants
8
Sources & evidence
- ORD record
- ord-8725f501e3444d4288c066d11613fc22
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…