Acetic Acid → HCID 70226343, compound
Reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([c:7]1[cH:8][n:9][cH:10][cH:11][cH:12]1)[NH:13][C:14]([CH2:15][n:16]1[c:17](=[O:24])[c:18]([NH2:23])[cH:19][cH:20][c:21]1[CH3:22])=[O:25])=[O:26].[CH3:43][OH:44].[Cl:45][CH:46]([Cl:47])[Cl:48].[n:27]1[c:28]([CH:37]=[O:38])[cH:29][cH:30][c:31]2[c:36]1[NH:35][CH2:34][CH2:33][CH2:32]2>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([c:7]1[cH:8][n:9][cH:10][cH:11][cH:12]1)[NH:13][C:14]([CH2:15][n:16]1[c:17](=[O:24])[c:18]([NH:23][CH2:37][c:28]2[n:27][c:36]3[c:31]([cH:30][cH:29]2)[CH2:32][CH2:33][CH2:34][NH:35]3)[cH:19][cH:20][c:21]1[CH3:22])=[O:25])=[O:26]Participants
6
Sources & evidence
- ORD record
- ord-57cf508e86d44d508b61758d58057675
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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