Ethanol → HCID 10185634, compound
Reaction equation
[CH3:50][CH2:51][OH:52].[CH3:53][O:54][C:55]([CH3:56])([CH3:57])[CH3:58].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([c:9]2[cH:10][n:11][c:12]([C:22]#[C:23][CH2:24][N:25]3[C:26](=[O:27])[c:28]4[c:29]([cH:30][cH:31][cH:32][cH:33]4)[C:34]3=[O:35])[cH:13][c:14]2-[c:15]2[c:16]([CH3:21])[cH:17][cH:18][cH:19][cH:20]2)=[O:36])[CH3:37])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46].[NH2:48][NH2:49].[OH2:47]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([c:9]2[cH:10][n:11][c:12]([C:22]#[C:23][CH2:24][NH2:25])[cH:13][c:14]2-[c:15]2[c:16]([CH3:21])[cH:17][cH:18][cH:19][cH:20]2)=[O:36])[CH3:37])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46]Participants
6
Sources & evidence
- ORD record
- ord-e6e0486813e2479d93be16ecdc321929
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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