Calcium Cation → HCID 20346994, compound
Reaction equation
[CH2:28]([Cl:29])[Cl:30].[CH:1]1([c:7]2[cH:8][c:9]([CH2:16][CH3:17])[c:10]([NH2:11])[c:12]([CH2:14][CH3:15])[cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Ca+2:19].[Cl:24][C:25]([Cl:26])=[S:27].[O-:20][C:21](=[O:22])[O-:23].[OH2:18]>>[CH:1]1([c:7]2[cH:8][c:9]([CH2:16][CH3:17])[c:10]([N:11]=[C:25]=[S:27])[c:12]([CH2:14][CH3:15])[cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
7
Sources & evidence
- ORD record
- ord-f9e802b6ac2844209f46261e7e922e88
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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