Acetic Acid → HCID 178426776, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][NH:6][C:7](=[O:8])[C:9]1([CH3:38])[CH2:10][NH:11][CH2:12][CH2:13][CH:14]1[NH:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][c:27]2[cH:28][c:29]([CH3:37])[n:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[cH:23][cH:24]1.[C:45]([BH3-:46])#[N:47].[CH3:39][OH:40].[CH3:41][C:42](=[O:43])[OH:44].[CH3:49][C:50](=[O:51])[CH3:52].[Na+:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][NH:6][C:7](=[O:8])[C:9]1([CH3:38])[CH2:10][N:11]([CH:42]([CH3:41])[CH3:45])[CH2:12][CH2:13][CH:14]1[NH:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][c:27]2[cH:28][c:29]([CH3:37])[n:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[cH:23][cH:24]1Participants
7
Sources & evidence
- ORD record
- ord-2597ecb4b4d84245b2fe4a8380aef1d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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