Methanol → HCID 178442297, compound
Reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[CH:14]2[NH:15][CH:16]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:17]([C:27]#[N:28])([c:29]3[c:30]([F:36])[cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[CH:18]2[c:19]2[c:20]([F:26])[c:21]([Cl:25])[cH:22][cH:23][cH:24]2)[cH:9][cH:10]1)=[O:42].[CH3:50][OH:51].[Li+:44].[OH-:43]>>[O:2]=[C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[CH:14]2[NH:15][CH:16]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:17]([C:27]#[N:28])([c:29]3[c:30]([F:36])[cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[CH:18]2[c:19]2[c:20]([F:26])[c:21]([Cl:25])[cH:22][cH:23][cH:24]2)[cH:9][cH:10]1)[OH:42]Participants
6
Sources & evidence
- ORD record
- ord-a38e7ae18ff249c7b8f95c35847010b7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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