Water → HCID 59506935, compound
Reaction equation
[CH3:16][N:17]([CH3:18])[CH:19]=[O:20].[CH3:50][N:51]([CH3:52])[C:53](=[O:54])[CH3:55].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[C:11]([CH3:12])([CH3:13])[C:14]#[N:15].[Cl:44][C:45]([C:46]([Cl:47])=[O:48])=[O:49].[NH2:21][c:22]1[cH:23][cH:24][c:25]([F:42])[c:26]([O:27][c:28]2[cH:29][cH:30][c:31]3[c:32]([n:33]2)[s:34][c:35]([NH:37][C:38]([CH3:39])=[O:40])[n:36]3)[cH:41]1.[OH2:43]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:21][c:22]2[cH:23][cH:24][c:25]([F:42])[c:26]([O:27][c:28]3[cH:29][cH:30][c:31]4[c:32]([n:33]3)[s:34][c:35]([NH:37][C:38]([CH3:39])=[O:40])[n:36]4)[cH:41]2)[cH:7][cH:8][cH:9][c:10]1[C:11]([CH3:12])([CH3:13])[C:14]#[N:15]Participants
7
Sources & evidence
- ORD record
- ord-453df044b8074798814fb6068d0a4b85
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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