Methanol → HCID 53989494, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8](=[CH2:9])[O:10][N:11]1[C:12](=[O:13])[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[C:20]1=[O:21].[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[NH:44][c:45]1[s:46][cH:47][c:48]([C:50]([C:51](=[O:52])[OH:53])=[O:54])[n:49]1.[CH2:55]([Cl:56])[Cl:57].[CH3:58][OH:59].[NH2:23][NH2:24].[OH2:22]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8](=[CH2:9])[O:10][N:11]=[C:50]([c:48]1[cH:47][s:46][c:45]([NH:44][C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[n:49]1)[C:51](=[O:52])[OH:53]Participants
7
Sources & evidence
- ORD record
- ord-7b6afa713e9d471e962b70b7c729b879
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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