Acetic Acid → HCID 68460621, compound
Reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:10][c:11]2[c:12]([NH:18][c:19]3[cH:20][cH:21][n:22][c:23]4[n:24][c:25]([CH3:29])[cH:26][cH:27][c:28]34)[cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[cH:7][cH:8][cH:9]1)=[O:30].[Li+:38].[OH-:37].[OH2:36]>>[O:2]=[C:3]([c:4]1[cH:5][c:6]([O:10][c:11]2[c:12]([NH:18][c:19]3[cH:20][cH:21][n:22][c:23]4[n:24][c:25]([CH3:29])[cH:26][cH:27][c:28]34)[cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[cH:7][cH:8][cH:9]1)[OH:30]Participants
7
Sources & evidence
- ORD record
- ord-e458220e999e4b0cbfa4400c0ae7f3b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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