Ethanol → HCID 16117295, compound
Reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[C:49](=[O:50])([OH:51])[O-:52].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][NH:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]1)[CH2:19][CH2:20][CH3:21].[CH2:22]([CH3:23])[N:24]([c:25]1[cH:26][cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32]1)[CH2:33][CH3:34].[CH3:54][CH2:55][OH:56].[Na+:48].[Na+:53]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][N:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]1)[CH2:29][c:28]1[cH:27][cH:26][c:25]([N:24]([CH2:22][CH3:23])[CH2:33][CH3:34])[cH:32][cH:31]1)[CH2:19][CH2:20][CH3:21]Participants
7
Sources & evidence
- ORD record
- ord-a3512eb6e20049fcacfb00870b9683a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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