Acetone → HCID 18669096, compound
Reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5]([C:13]([F:14])([F:15])[F:16])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][OH:51].[CH3:52][C:53](=[O:54])[CH3:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl:17][c:18]1[cH:19][c:20]2[c:21]([CH2:34][CH2:35][C:36](=[O:37])[N:38]3[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]3)[c:22](-[c:27]3[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[nH:23][c:24]2[cH:25][cH:26]1.[K+:48].[K+:49]>>[CH2:2]([c:3]1[cH:4][c:5]([C:13]([F:14])([F:15])[F:16])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)[N:41]1[CH2:40][CH2:39][N:38]([C:36]([CH2:35][CH2:34][c:21]2[c:20]3[cH:19][c:18]([Cl:17])[cH:26][cH:25][c:24]3[nH:23][c:22]2-[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)=[O:37])[CH2:43][CH2:42]1Participants
8
Sources & evidence
- ORD record
- ord-6e34d67e7a844970ad157263d3779e6a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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