Calcium Cation → HCID 20391512, compound
Reaction equation
[CH3:30][C:31]#[N:32].[CH3:6][N:7]([CH2:8][CH2:9][C:10]1([c:16]2[n:17]([CH2:21][c:22]3[c:23]([F:28])[cH:24][cH:25][cH:26][cH:27]3)[cH:18][cH:19][cH:20]2)[S:11][CH2:12][CH2:13][CH2:14][S:15]1)[CH3:29].[Ca+2:1].[O-:2][C:3](=[O:4])[O-:5]>>[O:2]=[C:10]([CH2:9][CH2:8][N:7]([CH3:6])[CH3:29])[c:16]1[n:17]([CH2:21][c:22]2[c:23]([F:28])[cH:24][cH:25][cH:26][cH:27]2)[cH:18][cH:19][cH:20]1Participants
5
Sources & evidence
- ORD record
- ord-1bf2e7673886461ab707c637a676cd12
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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