Methanol → HCID 178442293, compound
Reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[CH:16]2[NH:17][CH:18]([CH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])[C:19]([C:29]#[N:30])([c:31]3[c:32]([F:38])[cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[CH:20]2[c:21]2[c:22]([F:28])[c:23]([Cl:27])[cH:24][cH:25][cH:26]2)[cH:11][cH:12]1)=[O:44].[CH3:52][OH:53].[Li+:46].[OH-:45].[OH2:54]>>[O:2]=[C:3]([C:4]([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[CH:16]2[NH:17][CH:18]([CH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])[C:19]([C:29]#[N:30])([c:31]3[c:32]([F:38])[cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[CH:20]2[c:21]2[c:22]([F:28])[c:23]([Cl:27])[cH:24][cH:25][cH:26]2)[cH:11][cH:12]1)[OH:44]Participants
7
Sources & evidence
- ORD record
- ord-80b7fd0788814da2838f89bfc0af3145
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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