Ethanol → HCID 87305805, compound
Reaction equation
[CH3:56][CH2:57][OH:58].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:32]3[CH:33]([CH2:37][N:38]4[C:39](=[O:40])[c:41]5[c:42]([cH:43][cH:44][cH:45][cH:46]5)[C:47]4=[O:48])[CH2:34][CH2:35][CH2:36]3)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:49])[CH3:50])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:51])[F:52].[NH2:54][NH2:55].[Na+:60].[OH-:59].[OH2:53]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:32]3[CH:33]([CH2:37][NH2:38])[CH2:34][CH2:35][CH2:36]3)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:49])[CH3:50])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:51])[F:52]Participants
7
Sources & evidence
- ORD record
- ord-25ad71e35e3740dda8777204f1b08d3a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…