Ethanol → HCID 16117294, compound
Reaction equation
[Br:22][c:23]1[cH:24][cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30]1.[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[C:45](=[O:46])([OH:47])[O-:48].[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].[CH3:50][CH2:51][OH:52].[Na+:44].[Na+:49]>>[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)[CH2:27][c:26]1[cH:25][cH:24][c:23]([Br:22])[cH:30][cH:29]1)[CH2:19][CH2:20][CH3:21]Participants
7
Sources & evidence
- ORD record
- ord-bc8a826952fa4cf3a547ee47844f5b06
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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