Acetone → HCID 57551721, compound
Reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:37][C:38]([CH3:39])=[O:40].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:13]3[cH:14][c:15]4[c:16]([CH2:28][N:29]5[CH2:30][CH2:31][NH:32][CH2:33][CH2:34][CH2:35]5)[cH:17][n:18]([CH2:24][CH:25]5[CH2:26][CH2:27]5)[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:36])[CH2:2][CH2:3]1.[Cl:55][CH2:56][Cl:57].[Na+:54]>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:13]3[cH:14][c:15]4[c:16]([CH2:28][N:29]5[CH2:30][CH2:31][N:32]([CH:38]([CH3:37])[CH3:39])[CH2:33][CH2:34][CH2:35]5)[cH:17][n:18]([CH2:24][CH:25]5[CH2:26][CH2:27]5)[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:36])[CH2:2][CH2:3]1Participants
6
Sources & evidence
- ORD record
- ord-ddd2652c5cbe4e7f98ca671c92c78624
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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