Acetic Acid → HCID 14722638, compound
Reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[K:44][O:45][C:46]#[N:47].[NH2:1][c:2]1[cH:3][c:4]([Cl:39])[c:5]([NH:9][C:10]([CH2:11][N:12]2[CH:13]([CH3:37])[CH2:14][N:15]([CH2:18][CH2:19][CH2:20][CH2:21][CH:22]([c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[CH2:16][CH2:17]2)=[O:38])[c:6]([Cl:8])[cH:7]1.[OH2:48]>>[NH:1]([c:2]1[cH:3][c:4]([Cl:39])[c:5]([NH:9][C:10]([CH2:11][N:12]2[CH:13]([CH3:37])[CH2:14][N:15]([CH2:18][CH2:19][CH2:20][CH2:21][CH:22]([c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[CH2:16][CH2:17]2)=[O:38])[c:6]([Cl:8])[cH:7]1)[C:46](=[O:45])[NH2:47]Participants
5
Sources & evidence
- ORD record
- ord-87823b5faf184b7a834a59223f5927af
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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