Acetone → HCID 19735125, compound
Reaction equation
[CH3:29][C:30]([CH3:31])=[O:32].[Ca+2:23].[Cl-:21].[NH3:1].[NH4+:22].[O-:24][S:25](=[O:26])(=[O:27])[O-:28].[n:2]1[c:3]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[cH:18][c:19]2[OH:20])[cH:4][cH:5][cH:6][cH:7]1>>[N:1]1=[C:8]([c:3]2[n:2][cH:7][cH:6][cH:5][cH:4]2)[c:10]2[cH:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[cH:18][c:19]2[O:20][C:30]1([CH3:29])[CH3:31]Participants
8
Sources & evidence
- ORD record
- ord-1a5abd418a8e4c99ba9189caf8cce35f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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