Acetic Acid → HCID 86641327, compound
Reaction equation
[C:57]([O:58][BH-:59]([O:60][C:61](=[O:62])[CH3:63])[O:64][C:65](=[O:66])[CH3:67])(=[O:68])[CH3:69].[CH3:1][O:2][c:3]1[c:4]([CH3:40])[c:5]([CH2:10][N:11]2[N:12]=[C:13]3[C:14]4=[C:18]([C:17](=[O:38])[CH2:16][C:15]4=[N:39]2)[CH2:19][S:20][N:21]=[C:22]3[N:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[n:6][cH:7][c:8]1[CH3:9].[CH3:45][O:46][c:47]1[c:48]([CH2:49][NH2:50])[cH:51][cH:52][c:53]([O:55][CH3:56])[cH:54]1.[CH3:71][OH:72].[CH3:73][C:74](=[O:75])[OH:76].[Cl:41][CH:42]([Cl:43])[CH3:44].[Na+:70]>>[CH3:1][O:2][c:3]1[c:4]([CH3:40])[c:5]([CH2:10][N:11]2[N:12]=[C:13]3[C:14]4=[C:18]([CH:17]([NH:50][CH2:49][c:48]5[c:47]([O:46][CH3:45])[cH:54][c:53]([O:55][CH3:56])[cH:52][cH:51]5)[CH2:16][C:15]4=[N:39]2)[CH2:19][S:20][N:21]=[C:22]3[N:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[n:6][cH:7][c:8]1[CH3:9]Participants
8
Sources & evidence
- ORD record
- ord-573292a616a947eba819dbe40614f5c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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