Acetone → HCID 77701682, compound
Reaction equation
[C:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[C:42](=[O:43])([O-:44])[O-:45].[CH2:40]=[O:41].[CH3:48][C:49]([CH3:50])=[O:51].[Cl:52][CH:53]([Cl:54])[CH3:55].[NH2:1][CH:2]1[CH2:3][CH2:4][CH:5]([N:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH:6]([CH2:8][C:9]#[N:10])[CH2:7]1.[Na+:39].[Na+:46].[Na+:47]>>[N:1]([CH:2]1[CH2:3][CH2:4][CH:5]([N:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH:6]([CH2:8][C:9]#[N:10])[CH2:7]1)([CH3:26])[CH:49]([CH3:48])[CH3:50]Participants
8
Sources & evidence
- ORD record
- ord-86f0e80cf7c949ffab24c1b0cfa7adbf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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