Acetic Acid → HCID 15631676, compound
Reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[CH3:33][S:34]([CH3:35])=[O:36].[Cl:4][c:5]1[c:6]([C:14](=[O:15])[c:16]2[cH:17][cH:18][n:19][n:20]2[CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:7][cH:8][c:9]([O:12][CH3:13])[c:10]1[Cl:11].[Na:1][C:2]#[N:3].[OH2:28]>>[Cl:4][c:5]1[c:6]([C:14](=[O:15])[c:16]2[cH:17][cH:18][n:19][n:20]2[CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:7][cH:8][c:9]([OH:12])[c:10]1[Cl:11]Participants
6
Sources & evidence
- ORD record
- ord-0a9dc5c47e9e461483f07625058cc0ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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