Acetic Acid → HCID 66622181, compound
Reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[C:56]([OH:57])(=[O:58])[CH3:59].[CH3:35][N:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([N:7]([CH3:8])[CH:9]([CH2:10][O:11][C:12]([NH:13][c:14]2[n:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[cH:23]2)=[O:24])[CH2:25][CH2:26][CH:27]=[O:28])=[O:29])[cH:30][cH:31][cH:32][c:33]1[F:34].[Cl:60][CH2:61][Cl:62].[Na+:55]>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([N:7]([CH3:8])[CH:9]([CH2:10][O:11][C:12]([NH:13][c:14]2[n:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[cH:23]2)=[O:24])[CH2:25][CH2:26][CH2:27][N:39]2[CH2:38][CH2:37][N:36]([CH3:35])[CH2:41][CH2:40]2)=[O:29])[cH:30][cH:31][cH:32][c:33]1[F:34]Participants
7
Sources & evidence
- ORD record
- ord-d8344eb5308f4cf2a0dfe430546504fb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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