Methyl acetoacetate → HCID 178500908, compound
Reaction equation
[C:9]([CH2:10][C:11](=[O:12])[CH3:13])(=[O:14])[O:15][CH3:16].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:2][CH:3]([N-:4][CH:5]([CH3:6])[CH3:7])[CH3:8].[F:17][c:18]1[c:19]([CH3:41])[cH:20][c:21]([C:24]2=[C:34]([CH:35]=[CH:36][CH:37]=[O:38])[C:33]([CH3:39])([CH3:40])[CH2:32][C:26]3([CH2:25]2)[S:27][CH2:28][CH2:29][CH2:30][S:31]3)[cH:22][cH:23]1.[Li+:1]>>[C:9]([CH2:10][C:11](=[O:12])[CH2:13][CH:37]([CH:36]=[CH:35][C:34]1=[C:24]([c:21]2[cH:20][c:19]([CH3:41])[c:18]([F:17])[cH:23][cH:22]2)[CH2:25][C:26]2([S:27][CH2:28][CH2:29][CH2:30][S:31]2)[CH2:32][C:33]1([CH3:39])[CH3:40])[OH:38])(=[O:14])[O:15][CH3:16]Participants
6
Sources & evidence
- ORD record
- ord-14f204c0a20a4d6f89202790b870efd6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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