Acetic Acid → HCID 57936333, compound
Reaction equation
[CH3:1][C:2]([C:3]#[C:4][c:5]1[n:6][cH:7][c:8](-[c:11]2[n:12][c:13]([S:17][CH3:18])[n:14][cH:15][cH:16]2)[cH:9][cH:10]1)([CH3:19])[NH2:20].[CH3:32][C:33](=[O:34])[OH:35].[Cl:36][CH2:37][Cl:38].[Cl:39][CH2:40][Cl:41].[OH:21][O:22][C:23]([c:24]1[cH:25][c:26]([Cl:27])[cH:28][cH:29][cH:30]1)=[O:31]>>[CH3:1][C:2]([C:3]#[C:4][c:5]1[n:6][cH:7][c:8](-[c:11]2[n:12][c:13]([S:17]([CH3:18])=[O:21])[n:14][cH:15][cH:16]2)[cH:9][cH:10]1)([CH3:19])[NH2:20]Participants
5
Sources & evidence
- ORD record
- ord-03cdd83c6d8941f097e5bcebd56f616a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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