Calcium Cation → HCID 178509992, compound
Reaction equation
[Ca+2:27].[Cl:15][CH2:16][C:17](=[O:18])[N:19]1[CH:20]([C:24]#[N:25])[CH2:21][CH2:22][CH2:23]1.[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[OH-:26].[OH-:28].[c:1]1(-[c:7]2[nH:8][cH:9][c:10]([CH2:12][CH2:13][NH2:14])[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[nH:8][cH:9][c:10]([CH2:12][CH2:13][NH:14][CH2:16][C:17](=[O:18])[N:19]3[CH:20]([C:24]#[N:25])[CH2:21][CH2:22][CH2:23]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-7b2fe630488b401d8ae11d32990cada4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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