Acetone → HCID 57551751, compound
Reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:38][C:39]([CH3:40])=[O:41].[Cl:56][CH2:57][Cl:58].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][n:11]([CH2:34][CH:35]3[CH2:36][CH2:37]3)[c:12](=[O:33])[c:13]3[cH:14][cH:15][c:16](-[c:19]4[cH:20][c:21]([C:22](=[O:23])[NH:24][CH:25]5[CH2:26][CH2:27]5)[cH:28][c:29]([F:32])[c:30]4[CH3:31])[cH:17][c:18]23)[CH2:6][CH2:7]1.[Na+:55]>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][n:11]([CH2:34][CH:35]3[CH2:36][CH2:37]3)[c:12](=[O:33])[c:13]3[cH:14][cH:15][c:16](-[c:19]4[cH:20][c:21]([C:22](=[O:23])[NH:24][CH:25]5[CH2:26][CH2:27]5)[cH:28][c:29]([F:32])[c:30]4[CH3:31])[cH:17][c:18]23)[CH2:6][CH2:7]1)[CH:39]([CH3:38])[CH3:40]Participants
6
Sources & evidence
- ORD record
- ord-152173f9c68b4b4484c2f34ab7551e2f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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