Methanol → HCID 178487555, compound
Reaction equation
[CH3:54][OH:55].[Cl:49][CH2:50][Cl:51].[Na+:53].[OH-:52].[cH:1]1[c:2]2[c:14]([cH:15][cH:16][cH:48]1)-[c:9]1[c:8]([cH:13][cH:12][cH:11][cH:10]1)[CH:3]2[CH2:4][O:5][C:6](=[O:7])[NH:17][CH:18]([CH3:19])[C:20]([NH:21][c:22]1[cH:23][cH:24][c:25]2[c:30]([c:31]1[NH2:32])[O:29][C:28]([NH2:33])=[C:27]([C:34]#[N:35])[CH:26]2[c:36]1[cH:37][c:38]([Br:46])[c:39]([O:44][CH3:45])[c:40]([O:42][CH3:43])[cH:41]1)=[O:47]>>[NH2:17][CH:18]([CH3:19])[C:20]([NH:21][c:22]1[cH:23][cH:24][c:25]2[c:30]([c:31]1[NH2:32])[O:29][C:28]([NH2:33])=[C:27]([C:34]#[N:35])[CH:26]2[c:36]1[cH:37][c:38]([Br:46])[c:39]([O:44][CH3:45])[c:40]([O:42][CH3:43])[cH:41]1)=[O:47]Participants
6
Sources & evidence
- ORD record
- ord-832a1db270ac45e5b05d7a20aa79c62b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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