Acetic Acid → HCID 69027424, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH2:17][N:18]2[C:19](=[O:24])[CH2:20][NH:21][CH2:22][CH2:23]2)[cH:10][c:11]2[cH:12][n:13][cH:14][cH:15][c:16]12.[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[CH3:56][C:57]#[N:58].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[Cl:25][c:26]1[cH:27][cH:28][c:29](-[c:31]2[cH:32][cH:33][c:34]([CH:35]=[O:36])[cH:37][cH:38]2)[s:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH2:17][N:18]2[C:19](=[O:24])[CH2:20][N:21]([CH2:35][c:34]3[cH:33][cH:32][c:31](-[c:29]4[cH:28][cH:27][c:26]([Cl:25])[s:30]4)[cH:38][cH:37]3)[CH2:22][CH2:23]2)[cH:10][c:11]2[cH:12][n:13][cH:14][cH:15][c:16]12Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-fa4e33a935c8481caadb8e5c1a8db81a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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