Acetic Acid → HCID 15392197, compound
Reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][CH:25]([O:28][c:29]2[cH:30][cH:31][c:32]([NH2:33])[cH:34][cH:35]2)[CH2:26][CH2:27]1.[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:53][C:54](=[O:55])[OH:56].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:13]#[N:14])[cH:10][c:11]2[cH:12]1.[Cl:50][CH2:51][Cl:52].[Na+:49]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:13]#[N:14])[cH:10][c:11]2[cH:12]1)[NH:33][c:32]1[cH:31][cH:30][c:29]([O:28][CH:25]2[CH2:24][CH2:23][N:22]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:21])[CH2:27][CH2:26]2)[cH:35][cH:34]1Participants
7
Sources & evidence
- ORD record
- ord-ea3c4ae35a5e4cc6a13f78312e222fe9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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