Ethanol → HCID 178526547, compound
Reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:46][CH2:47][OH:48].[CH:32]12[O:33][CH2:34][CH:35]([NH:36][CH2:37]1)[CH2:38]2.[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6](-[c:8]3[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]3)[n:7]1)[n:17]([CH2:20][C:21]([F:22])([F:23])[F:24])[n:18][cH:19]2.[F:25][C:26]([F:27])([F:28])[C:29]([OH:30])=[O:31]>>[c:2]1([N:36]2[CH:35]3[CH2:34][O:33][CH:32]([CH2:37]2)[CH2:38]3)[c:3]2[c:4]([n:5][c:6](-[c:8]3[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]3)[n:7]1)[n:17]([CH2:20][C:21]([F:22])([F:23])[F:24])[n:18][cH:19]2Participants
6
Sources & evidence
- ORD record
- ord-f71c10da36c6444286a093ecf48ae4fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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