Acetic Acid → HCID 68527204, compound
Reaction equation
[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH3:62][C:63](=[O:64])[OH:65].[CH:45]([CH3:46])=[O:47].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[cH:8][cH:9][c:10]([O:13][c:14]3[cH:15][cH:16][c:17]([CH2:20][NH:21][CH2:22][C:23](=[O:24])[N:25]4[CH2:26][CH2:27][N:28]([CH2:31][c:32]5[cH:33][c:34]6[c:38]([cH:39][cH:40]5)[O:37][CH2:36][O:35]6)[CH2:29][CH2:30]4)[cH:18][cH:19]3)[n:11][cH:12]2)[cH:41][cH:42][c:43]1[Cl:44].[Cl:66][CH:67]([Cl:68])[CH3:69].[Na+:61]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]([c:7]2[cH:8][cH:9][c:10]([O:13][c:14]3[cH:15][cH:16][c:17]([CH2:20][NH:21][CH2:22][C:23](=[O:24])[N:25]4[CH2:26][CH2:27][N:28]([CH2:31][c:32]5[cH:33][c:34]6[c:38]([cH:39][cH:40]5)[O:37][CH2:36][O:35]6)[CH2:29][CH2:30]4)[cH:18][cH:19]3)[n:11][cH:12]2)[CH2:45][CH3:46])[cH:41][cH:42][c:43]1[Cl:44]Participants
7
Sources & evidence
- ORD record
- ord-64c325d702474ccd91f7b921e23627f2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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