Methanol → HCID 178427322, compound
Reaction equation
[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH3:56][OH:57].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:29][c:30]1[n:31][cH:32][c:33]([C:36]#[N:37])[n:34][cH:35]1.[Cl:53][CH2:54][Cl:55].[NH:1]1[CH2:2][CH:3]([CH2:6][c:7]2[n:8][n:9][c:10]3[n:11]2[c:12]2[c:13]([n:14][cH:15]3)[n:16]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][c:25]([CH3:26])[cH:27][cH:28]3)[cH:17][cH:18]2)[CH2:4][CH2:5]1>>[N:1]1([c:30]2[n:31][cH:32][c:33]([C:36]#[N:37])[n:34][cH:35]2)[CH2:2][CH:3]([CH2:6][c:7]2[n:8][n:9][c:10]3[n:11]2[c:12]2[c:13]([n:14][cH:15]3)[n:16]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][c:25]([CH3:26])[cH:27][cH:28]3)[cH:17][cH:18]2)[CH2:4][CH2:5]1Participants
7
Sources & evidence
- ORD record
- ord-4a38f0cae36342aab499a393e1700d08
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…