1-Butanol → HCID 25020438, compound
Reaction equation
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH3:46][S:47]([CH3:48])=[O:49].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[F:1][c:2]1[n:3][c:4]([NH:14][CH2:15][c:16]2[cH:17][n:18][cH:19][cH:20][cH:21]2)[c:5]2[n:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[n:10]1.[NH2:31][CH:32]([CH:33]([C:34]([F:35])([F:36])[F:37])[OH:38])[CH2:39][CH3:40]>>[c:2]1([NH:31][CH:32]([CH:33]([C:34]([F:35])([F:36])[F:37])[OH:38])[CH2:39][CH3:40])[n:3][c:4]([NH:14][CH2:15][c:16]2[cH:17][n:18][cH:19][cH:20][cH:21]2)[c:5]2[n:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[n:10]1Participants
6
Sources & evidence
- ORD record
- ord-b89072015ff54e7b9d7a187ceb58260a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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