Calcium Cation → 1-Methyl-5-[[(1-propylimidazol-5-yl)methyl]thio]-1,2,4-triazole-3-amine
Reaction equation
[CH3:1][n:2]1[n:3][c:4]([N+:17]([O-:18])=[O:19])[n:5][c:6]1[S:7][CH2:8][c:9]1[cH:10][n:11][cH:12][n:13]1[CH2:14][CH2:15][CH3:16].[CH3:24][CH2:25][OH:26].[Ca+2:22].[Cl-:20].[Cl-:21].[Fe:23]>>[CH3:1][n:2]1[n:3][c:4]([NH2:17])[n:5][c:6]1[S:7][CH2:8][c:9]1[cH:10][n:11][cH:12][n:13]1[CH2:14][CH2:15][CH3:16]Participants
6
Sources & evidence
- ORD record
- ord-59687825b3c04218af2387a6c7bccbb4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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