Acetone → HCID 18380810, compound
Reaction equation
[CH3:35][C:36]([CH3:37])=[O:38].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:39][CH2:40][Cl:41].[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH2:12][CH:13]=[C:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][c:20]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:21][cH:22]2)[CH2:9][CH2:10]1)[CH2:31][CH:32]([CH3:33])[CH3:34]>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH2:12][CH:13]=[C:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][c:20]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:21][cH:22]2)[CH2:9][CH2:10]1)[CH2:31][CH:32]([CH3:33])[CH3:34])[CH:36]([CH3:35])[CH3:37]Participants
5
Sources & evidence
- ORD record
- ord-8b875b51662247feb916e231645dea29
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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