Acetate → HCID 19988722, compound
Reaction equation
[CH3:18][c:19]1[c:20]([CH2:21][NH2:22])[cH:23][cH:24][cH:25][cH:26]1.[CH3:28][C:29](=[O:30])[O-:31].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([Cl:12])[n:11]1.[Na+:27].[O:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1.[OH2:32]>>[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:22][CH2:21][c:20]2[c:19]([CH3:18])[cH:26][cH:25][cH:24][cH:23]2)[n:11]1Participants
7
Sources & evidence
- ORD record
- ord-076eb2d66df84480bc0ac6806ef22535
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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