Calcium Cation → 5-Isothiocyanato-6-methyl-2-(pyridin-2-yl)-1,3-benzoxazole
Reaction equation
[CH3:23][O:24][CH2:25][CH2:26][O:27][CH3:28].[Ca+2:18].[Cl:29][C:30]([Cl:31])=[S:32].[NH2:1][c:2]1[c:3]([CH3:17])[cH:4][c:5]2[c:6]([n:7][c:8](-[c:10]3[n:11][cH:12][cH:13][cH:14][cH:15]3)[o:9]2)[cH:16]1.[O-:19][C:20](=[O:21])[O-:22].[OH2:33]>>[N:1]([c:2]1[c:3]([CH3:17])[cH:4][c:5]2[c:6]([n:7][c:8](-[c:10]3[n:11][cH:12][cH:13][cH:14][cH:15]3)[o:9]2)[cH:16]1)=[C:30]=[S:32]Participants
7
Sources & evidence
- ORD record
- ord-c2ae445e880a423bb302c893fd75a4fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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