Acetic Acid → HCID 178477131, compound
Reaction equation
[Br:12][CH:13]([CH:14]([C:15](=[O:16])[N:17]1[CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH2:23][CH2:24]1)[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[C:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:38].[C:39]([CH3:40])(=[S:41])[O-:42].[CH3:44][C:45]#[N:46].[CH3:8][C:9](=[O:10])[OH:11].[Na+:43].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[CH:13]([CH:14]([C:15](=[O:16])[N:17]1[CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH2:23][CH2:24]1)[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([C:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:38])[S:41][C:39]([CH3:40])=[O:42]Participants
7
Sources & evidence
- ORD record
- ord-f96b2fffa1d54b0390e1091aca9c28d5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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