Acetic Acid → HCID 68833625, compound
Reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8](-[c:21]2[cH:22][c:23]([NH2:27])[cH:24][cH:25][cH:26]2)[c:9]([Br:20])[c:10]1[O:11][CH2:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19].[CH3:28][C:29]1([CH3:38])[CH2:30][C:31](=[O:37])[CH2:32][C:33]([CH3:35])([CH3:36])[CH2:34]1.[CH3:53][C:54](=[O:55])[OH:56].[Na+:52]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8](-[c:21]2[cH:22][c:23]([NH:27][CH:31]3[CH2:30][C:29]([CH3:28])([CH3:38])[CH2:34][C:33]([CH3:35])([CH3:36])[CH2:32]3)[cH:24][cH:25][cH:26]2)[c:9]([Br:20])[c:10]1[O:11][CH2:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19]Participants
6
Sources & evidence
- ORD record
- ord-06231615d9214130a9ab894b20422560
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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