Ethanol → HCID 142684735, compound
Reaction equation
[C:48](=[O:49])([O-:50])[OH:51].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:42][CH3:43])[CH2:8][CH:9]([NH:18][c:19]2[n:20][cH:21][c:22]([C:40]#[N:41])[cH:23][c:24]2[CH2:25][c:26]2[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21.[CH3:44][C:45]([Cl:46])=[O:47].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][CH2:60][OH:61].[Na+:52]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:42][CH3:43])[CH2:8][CH:9]([NH:18][c:19]2[n:20][cH:21][c:22]([C:40](=[NH:41])[O:47][CH2:45][CH3:44])[cH:23][c:24]2[CH2:25][c:26]2[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21Participants
7
Sources & evidence
- ORD record
- ord-3a724983973c4f97acb734d0844dd366
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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