Acetic Acid → HCID 178420111, compound
Reaction equation
[C:27]([O:28][BH-:29]([O:30][C:31](=[O:32])[CH3:33])[O:34][C:35](=[O:36])[CH3:37])(=[O:38])[CH3:39].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:66][C:67](=[O:68])[OH:69].[ClH:41].[NH:42]1[CH2:43][CH2:44][CH:45]([c:48]2[n:49][nH:50][c:51](-[c:53]3[n:54][cH:55][cH:56][cH:57][cH:58]3)[n:52]2)[CH2:46][CH2:47]1.[Na+:40].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[c:1]1(-[c:7]2[c:8](-[c:19]3[cH:20][cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26]3)[n:9][c:10](-[c:13]3[n:14][cH:15][cH:16][cH:17][cH:18]3)[n:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[c:8](-[c:19]3[cH:20][cH:21][c:22]([CH2:23][N:42]4[CH2:43][CH2:44][CH:45]([c:48]5[n:49][nH:50][c:51](-[c:53]6[n:54][cH:55][cH:56][cH:57][cH:58]6)[n:52]5)[CH2:46][CH2:47]4)[cH:25][cH:26]3)[n:9][c:10](-[c:13]3[n:14][cH:15][cH:16][cH:17][cH:18]3)[n:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-5cb7c0d282dd47259977c080dd1d3ef5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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