Acetic Acid → HCID 18348479, compound
Reaction equation
[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH3:38][C:39]([CH3:40])=[O:41].[CH3:42][C:43](=[O:44])[OH:45].[NH2:1][CH2:2][CH2:3][c:4]1[n:5][c:6]([NH:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:7]2[n:8][cH:9][n:10]([CH:13]3[O:14][CH:15]([CH2:20][O:21][CH3:22])[CH:16]([OH:19])[CH:17]3[OH:18])[c:11]2[n:12]1.[Na+:59]>>[NH:1]([CH2:2][CH2:3][c:4]1[n:5][c:6]([NH:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:7]2[n:8][cH:9][n:10]([CH:13]3[O:14][CH:15]([CH2:20][O:21][CH3:22])[CH:16]([OH:19])[CH:17]3[OH:18])[c:11]2[n:12]1)[CH:39]([CH3:38])[CH3:40]Participants
6
Sources & evidence
- ORD record
- ord-e2a00f315dcb41a18ab67daa548ae3fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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