Acetate → HCID 67624987, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH3:45])[n:4][c:5]2[n:6]1[cH:7][cH:8][cH:9][c:10]2[O:11][CH2:12][c:13]1[c:14]([Cl:44])[c:15]([N:20]([CH3:21])[C:22]([CH2:23][NH:24][C:25]([CH:26]=[CH:27][c:28]2[cH:29][cH:30][c:31]([NH:34][C:35]([CH2:36][CH2:37][C:38](=[O:39])[OH:40])=[O:41])[cH:32][cH:33]2)=[O:42])=[O:43])[cH:16][cH:17][c:18]1[Cl:19].[CH3:47][C:48](=[O:49])[O-:50].[CH3:51][C:52]([O:53][C:54](=[O:55])[CH3:56])=[O:57].[Na+:46]>>[Br:1][c:2]1[c:3]([CH3:45])[n:4][c:5]2[n:6]1[cH:7][cH:8][cH:9][c:10]2[O:11][CH2:12][c:13]1[c:14]([Cl:44])[c:15]([N:20]([CH3:21])[C:22]([CH2:23][NH:24][C:25]([CH:26]=[CH:27][c:28]2[cH:29][cH:30][c:31]([N:34]3[C:35](=[O:41])[CH2:36][CH2:37][C:38]3=[O:40])[cH:32][cH:33]2)=[O:42])=[O:43])[cH:16][cH:17][c:18]1[Cl:19]Participants
5
Sources & evidence
- ORD record
- ord-a9d40d8fab7c4e4d84c2f5ab48f440e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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