Acetone → HCID 22712057, compound
Reaction equation
[C:54](=[O:55])([O-:56])[OH:57].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:59][C:60](=[O:61])[CH3:62].[F:15][C:16]([c:17]1[cH:18][c:19]([CH2:27][CH2:28][N:29]([C:30]([CH:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[O:38][S:39]([CH3:40])(=[O:41])=[O:42])=[O:43])[CH3:44])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]1)([F:45])[F:46].[Na+:58].[OH:1][CH2:2][CH2:3][N:4]([CH:5]1[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1)[CH2:11][CH2:12][CH2:13][OH:14]>>[OH:1][CH2:2][CH2:3][N:4]([CH:5]1[CH2:6][CH2:7][N:8]([CH:31]([C:30]([N:29]([CH2:28][CH2:27][c:19]2[cH:18][c:17]([C:16]([F:15])([F:45])[F:46])[cH:22][c:21]([C:23]([F:24])([F:25])[F:26])[cH:20]2)[CH3:44])=[O:43])[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:9][CH2:10]1)[CH2:11][CH2:12][CH2:13][OH:14]Participants
7
Sources & evidence
- ORD record
- ord-fab967d21caf4785a90bd707f91fad35
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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