Ethanol → HCID 19377651, compound
Reaction equation
[BH4-:39].[CH3:41][CH2:42][OH:43].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([NH:13][C:14]([CH:15]([Br:16])[c:17]2[n:18][n:19][n:20]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[n:21]2)=[O:34])[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1.[N-:36]=[N+:37]=[N-:38].[Na+:35].[Na+:40]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([NH:13][C:14]([CH:15]([c:17]2[n:18][n:19][n:20]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[n:21]2)[NH2:36])=[O:34])[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1Participants
7
Sources & evidence
- ORD record
- ord-97fe412eb37f451b96c9d77692d5d4c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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