Acetic Acid → HCID 68833518, compound
Reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH2:36][CH2:37][C:38](=[O:41])[CH2:39][CH2:40]1.[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[s:8][c:9](-[c:12]2[cH:13][c:14]([NH2:18])[cH:15][cH:16][cH:17]2)[c:10]1[Br:11])=[O:27].[CH3:42][C:43](=[O:44])[OH:45].[Cl:60][CH:61]([Cl:62])[CH3:63].[Na+:59]>>[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[s:8][c:9](-[c:12]2[cH:13][c:14]([NH:18][CH:38]3[CH2:37][CH2:36][N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:40][CH2:39]3)[cH:15][cH:16][cH:17]2)[c:10]1[Br:11])=[O:27]Participants
7
Sources & evidence
- ORD record
- ord-7a981ab340be414f9e36198a49f6cac8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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