Methanol → HCID 16059340, compound
Reaction equation
[CH2:1]([O:3][C:4](=[O:2])[c:6]1[c:7](=[O:39])[c:8]2[c:9]([n:10][c:11]([NH:14][c:15]3[cH:16][cH:17][c:18]([N:21]4[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]4)[cH:19][cH:20]3)[n:12][cH:13]2)[n:28](-[c:30]2[cH:31][c:32]3[c:36]([cH:37][cH:38]2)[CH2:35][CH2:34][CH2:33]3)[cH:29]1)[CH3:5].[CH3:40][CH2:41][NH2:42].[CH3:43][OH:44]>>[O:3]=[C:4]([c:6]1[c:7](=[O:39])[c:8]2[c:9]([n:10][c:11]([NH:14][c:15]3[cH:16][cH:17][c:18]([N:21]4[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]4)[cH:19][cH:20]3)[n:12][cH:13]2)[n:28](-[c:30]2[cH:31][c:32]3[c:36]([cH:37][cH:38]2)[CH2:35][CH2:34][CH2:33]3)[cH:29]1)[NH:42][CH2:41][CH3:40]Participants
4
Sources & evidence
- ORD record
- ord-8734fac30ebb41879b9b819b5df30636
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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