Acetic Acid → HCID 23442326, compound
Reaction equation
[CH3:25][C:26]([OH:27])=[O:28].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]3[cH:7][cH:8][c:9]([CH2:12][c:13]4[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19][cH:20]4)[cH:10][c:11]13)[cH:21][n:22][n:23]2[CH3:24].[OH2:29]>>[c:2]1(=[O:27])[c:3]2[c:4]([nH:5][c:6]3[cH:7][cH:8][c:9]([CH2:12][c:13]4[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19][cH:20]4)[cH:10][c:11]13)[cH:21][n:22][n:23]2[CH3:24]Participants
4
Sources & evidence
- ORD record
- ord-bf9e056e41e24edcb1527a89e67e6ba6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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