Acetone → HCID 86674862, compound
Reaction equation
[C:5](=[O:6])([O-:7])[O-:8].[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[I:18].[CH2:19]([CH2:20][CH2:21][CH3:22])[N:23]([C:24]([c:25]1[c:26]([I:31])[cH:27][cH:28][cH:29][cH:30]1)=[O:32])[c:33]1[c:34]([O:51][CH3:52])[c:35]([O:49][CH3:50])[c:36]([C:39]([C:40]([F:41])([F:42])[F:43])([C:44]([F:45])([F:46])[F:47])[OH:48])[cH:37][cH:38]1.[CH3:1][C:2](=[O:3])[CH3:4].[K+:10].[K+:9].[OH2:53]>>[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:48][C:39]([c:36]1[c:35]([O:49][CH3:50])[c:34]([O:51][CH3:52])[c:33]([N:23]([CH2:19][CH2:20][CH2:21][CH3:22])[C:24]([c:25]2[c:26]([I:31])[cH:27][cH:28][cH:29][cH:30]2)=[O:32])[cH:38][cH:37]1)([C:40]([F:41])([F:42])[F:43])[C:44]([F:45])([F:46])[F:47]Participants
7
Sources & evidence
- ORD record
- ord-223c683cb6b3412ba7b5e93190dba55b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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