Acetate → HCID 76808979, compound
Reaction equation
[CH3:25][C:26](=[O:27])[O-:28].[CH3:33][CH2:34][OH:35].[ClH:29].[Na+:24].[O:30]([CH3:31])[NH2:32].[n:1]1[cH:2][cH:3][cH:4][c:5]2[cH:6][c:7]([CH2:11][n:12]3[n:13][n:14][c:15]4[c:16]3[n:17][c:18]([C:21]([CH3:22])=[O:23])[cH:19][cH:20]4)[cH:8][cH:9][c:10]12>>[n:1]1[cH:2][cH:3][cH:4][c:5]2[cH:6][c:7]([CH2:11][n:12]3[n:13][n:14][c:15]4[c:16]3[n:17][c:18]([C:21]([CH3:22])=[N:32][O:30][CH3:31])[cH:19][cH:20]4)[cH:8][cH:9][c:10]12Participants
7
Sources & evidence
- ORD record
- ord-353a1a37ff2f4838b31ec7dd68aa5c18
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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