Methanol → HCID 178493456, compound
Reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:26][N:27]1[CH2:28][CH2:29][N:30]([CH2:33][c:34]2[n:35][c:36]([N+:39]([O-:40])=[O:41])[nH:37][cH:38]2)[CH2:31][CH2:32]1.[CH3:42][OH:43].[CH3:49][OH:50].[Cl:1][c:2]1[c:3](-[c:13]2[c:14]3[cH:15][cH:16][cH:17][n:18][c:19]3[c:20]([C:23](=[O:24])[OH:25])[cH:21][cH:22]2)[c:4]([F:12])[c:5]([O:10][CH3:11])[cH:6][c:7]1[O:8][CH3:9]>>[Cl:1][c:2]1[c:3](-[c:13]2[c:14]3[cH:15][cH:16][cH:17][n:18][c:19]3[c:20]([C:23](=[O:24])[NH:39][c:36]3[n:35][c:34]([CH2:33][N:30]4[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]4)[cH:38][nH:37]3)[cH:21][cH:22]2)[c:4]([F:12])[c:5]([O:10][CH3:11])[cH:6][c:7]1[O:8][CH3:9]Participants
5
Sources & evidence
- ORD record
- ord-54997c08d6f6424e95fff3b3a60bafdd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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