Acetate → HCID 178476424, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]([CH:7]1[CH:8]([CH3:29])[CH2:9][CH:10]2[CH:11]3[CH2:12][CH:13]([Cl:28])[C:14]4=[CH:15][C:16](=[O:27])[CH2:17][CH2:18][C:19]4([CH3:20])[CH:21]3[CH:22]([OH:26])[CH2:23][C:24]12[CH3:25])=[O:30].[C:42]([OH:43])([OH:44])([OH:45])[CH3:46].[CH3:48][C:49](=[O:50])[O-:51].[CH3:56][CH2:57][OH:58].[CH3:59][O:60][CH2:61][CH2:62][O:63][CH3:64].[Cl:53][CH2:54][Cl:55].[Na+:47].[OH2:52].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]([CH:7]1[CH:8]([CH3:29])[CH2:9][CH:10]2[CH:11]3[CH:12]=[C:13]([Cl:28])[C:14]4=[CH:15][C:16](=[O:27])[CH2:17][CH2:18][C:19]4([CH3:20])[CH:21]3[CH:22]([OH:26])[CH2:23][C:24]12[CH3:25])=[O:30]Participants
10
Sources & evidence
- ORD record
- ord-e9d0e0703167410eb286e4b5b97eea69
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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