Acetic Acid → HCID 18509858, compound
Reaction equation
[C:35](=[O:36])([OH:37])[O-:38].[CH2:29]=[O:30].[CH3:31][C:32](=[O:33])[OH:34].[CH3:40][OH:41].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7](=[O:23])[n:8]([CH:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[c:9]3[c:10]2[cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]3)[cH:24][cH:25][c:26]1[O:27][CH3:28].[Na+:39]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7](=[O:23])[n:8]([CH:17]3[CH2:18][CH2:19][N:20]([CH3:31])[CH2:21][CH2:22]3)[c:9]3[c:10]2[cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]3)[cH:24][cH:25][c:26]1[O:27][CH3:28]Participants
7
Sources & evidence
- ORD record
- ord-00f39dc1b8544ff997f288d6b1b0e9c5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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