Ethanol → HCID 20686920, compound
Reaction equation
[CH3:45][CH2:46][OH:47].[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[n:17]([CH3:44])[c:18]([CH2:31][CH2:32][NH:33][C:34]([O:35][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)=[O:43])[n:19][c:20]3-[c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[n:17]([CH3:44])[c:18]([CH2:31][CH2:32][NH2:33])[n:19][c:20]3-[c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-8eaae0e8ca6149dd8b8f97f0d270b5d9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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