Acetic Acid → HCID 76834645, compound
Reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:30])[C:5](=[O:29])[N:6]([CH:24]([CH:25]=[O:26])[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[CH3:52][C:53](=[O:54])[OH:55].[CH:31]12[O:32][CH2:33][CH:34]([NH:35][CH2:36]1)[CH2:37]2.[Na+:51]>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:30])[C:5](=[O:29])[N:6]([CH:24]([CH2:25][N:35]2[CH:34]3[CH2:33][O:32][CH:31]([CH2:36]2)[CH2:37]3)[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1Participants
6
Sources & evidence
- ORD record
- ord-0c7678cf08734a41975816136da6bc84
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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