Ethanol → HCID 178463422, compound
Reaction equation
[CH3:35][CH2:36][OH:37].[F:1][CH:2]([c:3]1[c:4]2[n:5]([cH:6][cH:7][cH:8]1)[c:9](-[c:12]1[n:13][c:14]([NH:20][CH:21]([CH3:22])[c:23]3[cH:24][cH:25][c:26]([N+:29]([O-:30])=[O:31])[cH:27][cH:28]3)[n:15][cH:16][c:17]1[C:18]#[N:19])[cH:10][n:11]2)[F:32].[H:33][H:34].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[F:1][CH:2]([c:3]1[c:4]2[n:5]([cH:6][cH:7][cH:8]1)[c:9](-[c:12]1[n:13][c:14]([NH:20][CH:21]([CH3:22])[c:23]3[cH:24][cH:25][c:26]([NH2:29])[cH:27][cH:28]3)[n:15][cH:16][c:17]1[C:18]#[N:19])[cH:10][n:11]2)[F:32]Participants
5
Sources & evidence
- ORD record
- ord-a1308c68880e4e81beaa89bde32561be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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