Acetic Acid → HCID 178457416, compound
Reaction equation
[C:22]([O:23][BH-:24]([O:25][C:26](=[O:27])[CH3:28])[O:29][C:30](=[O:31])[CH3:32])(=[O:33])[CH3:34].[CH3:1][c:2]1[n:3](-[c:8]2[n:9][cH:10][c:11]([CH:14]3[O:15][CH2:16]3)[cH:12][cH:13]2)[c:4]([CH3:7])[cH:5][cH:6]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:36]([CH2:37][CH3:38])=[O:39].[Cl:52][CH2:53][Cl:54].[NH2:17][CH:18]([CH2:19][OH:20])[CH3:21].[Na+:35].[OH2:51]>>[CH3:1][c:2]1[n:3](-[c:8]2[n:9][cH:10][c:11]([CH:14]([OH:15])[CH2:16][N:17]([CH:18]([CH2:19][OH:20])[CH3:21])[CH2:36][CH2:37][CH3:38])[cH:12][cH:13]2)[c:4]([CH3:7])[cH:5][cH:6]1Participants
10
Sources & evidence
- ORD record
- ord-bbee4c81bb5a4a5db0f8a942e8658ca9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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