1-Butanol → HCID 178428349, compound
Reaction equation
[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[n:3][c:4]([NH:17][c:18]2[n:19][nH:20][c:21]([CH3:23])[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:24].[F:25][c:26]1[cH:27][n:28][c:29]([CH:32]([CH3:33])[NH2:34])[n:30][cH:31]1>>[c:2]1([NH:34][CH:32]([c:29]2[n:28][cH:27][c:26]([F:25])[cH:31][n:30]2)[CH3:33])[n:3][c:4]([NH:17][c:18]2[n:19][nH:20][c:21]([CH3:23])[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-e6b170a51359480a939bf1fb781edebb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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