Methanol → HCID 70028519, compound
Reaction equation
[CH3:38][OH:39].[CH3:3][O:4][C:5]([C:6](=[CH:7][c:8]1[c:9]([CH3:14])[n:10][c:11]([CH3:13])[s:12]1)[NH:15][C:16]([c:17]1[c:18]([Cl:34])[cH:19][c:20]([C:23]([CH2:24][CH2:25][c:26]2[cH:27][c:28]([OH:32])[cH:29][cH:30][cH:31]2)=[O:33])[cH:21][cH:22]1)=[O:35])=[O:36].[CH3:50][OH:51].[Na+:2].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:1].[OH2:37]>>[O:4]=[C:5]([C:6](=[CH:7][c:8]1[c:9]([CH3:14])[n:10][c:11]([CH3:13])[s:12]1)[NH:15][C:16]([c:17]1[c:18]([Cl:34])[cH:19][c:20]([C:23]([CH2:24][CH2:25][c:26]2[cH:27][c:28]([OH:32])[cH:29][cH:30][cH:31]2)=[O:33])[cH:21][cH:22]1)=[O:35])[OH:36]Participants
7
Sources & evidence
- ORD record
- ord-a1513e2e470448838b0b000d06ad65d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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