Acetate → HCID 173103103, compound
Reaction equation
[CH3:33][C:34](=[O:35])[O-:36].[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([CH2:24][CH2:25][CH3:26])[c:10]([C:13](=[O:14])[c:15]3[c:16]([F:23])[cH:17][cH:18][c:19]([O:21][CH3:22])[cH:20]3)[cH:11][cH:12]2)[cH:27][cH:28]1.[ClH:29].[NH2:30][OH:31].[Na+:32]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([CH2:24][CH2:25][CH3:26])[c:10]([C:13]([c:15]3[c:16]([F:23])[cH:17][cH:18][c:19]([O:21][CH3:22])[cH:20]3)=[N:30][OH:31])[cH:11][cH:12]2)[cH:27][cH:28]1Participants
7
Sources & evidence
- ORD record
- ord-5d8f505b49c5401195c0dc97ac7f7b3e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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