Acetic Acid → HCID 178435676, compound
Reaction equation
[C:42]([BH3-:43])#[N:44].[CH3:46][C:47](=[O:48])[OH:49].[CH3:50][CH2:51][OH:52].[CH:34]1([CH:40]=[O:41])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[Na+:45].[O:1]1[CH:2]([O:7][NH:8][C:9]([CH2:10][C:11]2([c:20]3[s:21][c:22](-[c:25]4[cH:26][cH:27][c:28]([CH2:31][CH3:32])[cH:29][cH:30]4)[cH:23][cH:24]3)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16][S:17]2(=[O:18])=[O:19])=[O:33])[CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:53]>>[O:1]1[CH:2]([O:7][NH:8][C:9]([CH2:10][C:11]2([c:20]3[s:21][c:22](-[c:25]4[cH:26][cH:27][c:28]([CH2:31][CH3:32])[cH:29][cH:30]4)[cH:23][cH:24]3)[CH2:12][CH2:13][N:14]([CH2:40][CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]3)[CH2:15][CH2:16][S:17]2(=[O:18])=[O:19])=[O:33])[CH2:3][CH2:4][CH2:5][CH2:6]1Participants
8
Sources & evidence
- ORD record
- ord-9b52f88f95354b33a48767a3c4822cf3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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