Acetone → HCID 53797528, compound
Reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[C:72]([O:73][CH2:74][CH3:75])(=[O:76])[CH3:77].[CH2:37]([CH3:38])[O:39][CH2:40][CH2:41][O:42][CH2:43][CH2:44][O:45][CH2:46][CH2:47][Br:48].[CH3:57][C:58](=[O:59])[CH3:60].[CH3:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71].[I-:50].[K+:55].[K+:56].[Na+:49].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[c:1]1([CH2:7][O:8][C:9]([c:10]2[cH:11][c:12]([OH:35])[cH:13][c:14]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:15]2)=[O:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][O:8][C:9]([c:10]2[cH:11][c:12]([O:35][CH2:47][CH2:46][O:45][CH2:44][CH2:43][O:42][CH2:41][CH2:40][O:39][CH2:37][CH3:38])[cH:13][c:14]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:15]2)=[O:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-96fb7f7571fb4a58a450a300ecd85cad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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