1-Butanol → HCID 59258952, compound
Reaction equation
[CH2:27]([CH2:28][CH2:29][CH3:30])[OH:31].[CH2:32]1[CH2:33][CH2:34][C:35]2=[N:40][CH2:39][CH2:38][CH2:37][N:36]2[CH2:41][CH2:42]1.[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]2[c:6]([n:7]1)[n:8]([CH:14]1[CH2:15][CH2:16][CH:17]([OH:20])[CH2:18][CH2:19]1)[c:9](=[O:13])[c:10]([Br:12])[cH:11]2.[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[OH2:43]>>[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]2[c:6]([n:7]1)[n:8]([CH:14]1[CH2:15][CH2:16][CH:17]([OH:20])[CH2:18][CH2:19]1)[c:9](=[O:13])[c:10]([C:23](=[O:22])[O:31][CH2:27][CH2:28][CH2:29][CH3:30])[cH:11]2Participants
6
Sources & evidence
- ORD record
- ord-d511179958814fdf8e3655575cd06115
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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