1-Butanol → HCID 178493092, compound
Reaction equation
[CH2:45]([OH:46])[CH2:47][CH2:48][CH3:49].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[n:3][c:4]([NH:17][c:18]2[n:19][nH:20][c:21]([O:23][CH3:24])[cH:22]2)[c:5]([Cl:16])[c:6]([N:8]([S:9](=[O:10])(=[O:11])[N:12]([CH3:13])[CH3:14])[CH3:15])[n:7]1.[ClH:25].[F:26][c:27]1[cH:28][n:29][c:30]([CH:33]([CH3:34])[NH2:35])[n:31][cH:32]1>>[c:2]1([NH:35][CH:33]([c:30]2[n:29][cH:28][c:27]([F:26])[cH:32][n:31]2)[CH3:34])[n:3][c:4]([NH:17][c:18]2[n:19][nH:20][c:21]([O:23][CH3:24])[cH:22]2)[c:5]([Cl:16])[c:6]([N:8]([S:9](=[O:10])(=[O:11])[N:12]([CH3:13])[CH3:14])[CH3:15])[n:7]1Participants
6
Sources & evidence
- ORD record
- ord-72c6a6ed0ee843f68bd6183a42b98507
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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