Acetic Acid → HCID 54548345, compound
Reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[C:59](=[O:60])([O-:61])[O-:62].[CH3:1][O:2][C:3]([N:4]([CH:5]1[CH2:6][CH:7]([CH3:19])[NH:8][c:9]2[cH:10][c:11]([O:17][CH3:18])[c:12]([O:15][CH3:16])[cH:13][c:14]21)[CH2:20][c:21]1[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)=[O:35].[CH3:36][C:37](=[O:38])[OH:39].[CH:40]([CH2:41][CH2:42][CH3:43])=[O:44].[Cl:65][CH:66]([Cl:67])[CH3:68].[K+:63].[K+:64].[Na+:58].[OH2:69]>>[CH3:1][O:2][C:3]([N:4]([CH:5]1[CH2:6][CH:7]([CH3:19])[N:8]([CH2:40][CH2:41][CH2:42][CH3:43])[c:9]2[cH:10][c:11]([O:17][CH3:18])[c:12]([O:15][CH3:16])[cH:13][c:14]21)[CH2:20][c:21]1[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)=[O:35]Participants
10
Sources & evidence
- ORD record
- ord-22e2291b34a44aabb7a737e6be9ec3d3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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