Acetone → HCID 178472687, compound
Reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][NH:6][C:7](=[C:8]([C:9]#[N:10])[C:11]#[N:12])[N:13]1[CH2:14][CH:15]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:16][CH2:17][CH2:18]1)=[O:27].[CH3:44][C:45](=[O:46])[CH3:47].[Cl:28][c:29]1[c:30]([CH2:31][Br:32])[cH:33][cH:34][cH:35][cH:36]1.[K+:41].[K+:42].[OH2:43]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([C:7](=[C:8]([C:9]#[N:10])[C:11]#[N:12])[N:13]1[CH2:14][CH:15]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:16][CH2:17][CH2:18]1)[CH2:31][c:30]1[c:29]([Cl:28])[cH:36][cH:35][cH:34][cH:33]1)=[O:27]Participants
7
Sources & evidence
- ORD record
- ord-12720bd830ac4fef9f9f1b7b0a70a049
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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