Acetic Acid → HCID 57979831, compound
Reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:50]([OH:51])(=[O:52])[CH3:53].[CH2:45]=[O:46].[Cl:15][c:16]1[c:17]([F:44])[c:18]([NH:22][c:23]2[n:24][cH:25][n:26][c:27]3[cH:28][c:29]([O:42][CH3:43])[c:30]([CH2:33][NH:34][C:35]([CH3:36])([C:37](=[O:38])[NH:39][CH3:40])[CH3:41])[cH:31][c:32]23)[cH:19][cH:20][cH:21]1.[Cl:47][CH2:48][Cl:49].[Na+:14]>>[CH3:1][N:34]([CH2:33][c:30]1[c:29]([O:42][CH3:43])[cH:28][c:27]2[n:26][cH:25][n:24][c:23]([NH:22][c:18]3[c:17]([F:44])[c:16]([Cl:15])[cH:21][cH:20][cH:19]3)[c:32]2[cH:31]1)[C:35]([CH3:36])([C:37](=[O:38])[NH:39][CH3:40])[CH3:41]Participants
7
Sources & evidence
- ORD record
- ord-5f1cb201840a45179b40472f4f8c0155
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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