Calcium Cation → HCID 22938658, compound
Reaction equation
[CH3:1][n:2]1[c:3]([S:14][CH2:15][c:16]2[cH:17][n:18][cH:19][n:20]2[CH2:21][CH2:22][CH3:23])[n:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([N+:11]([O-:12])=[O:13])[cH:10]2.[CH3:27][CH2:28][OH:29].[Ca+2:26].[Cl-:24].[Cl-:25].[Fe:30]>>[CH3:1][n:2]1[c:3]([S:14][CH2:15][c:16]2[cH:17][n:18][cH:19][n:20]2[CH2:21][CH2:22][CH3:23])[n:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([NH2:11])[cH:10]2Participants
6
Sources & evidence
- ORD record
- ord-3b0657b0fb5c46938ed0b4408d2edb89
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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