Isobutanol → HCID 59753953, compound
Reaction equation
[CH2:35]([Li:36])[CH2:37][CH2:38][CH3:39].[CH2:40]([CH:41]([CH3:42])[CH3:43])[OH:44].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[n:6][c:7](-[c:27]2[c:28]([Cl:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[c:8](-[c:20]2[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]2)[c:9]([O:11][c:12]2[cH:13][c:14]([F:19])[c:15]([F:18])[cH:16][cH:17]2)[n:10]1>>[c:5]1([O:44][CH2:40][CH:41]([CH3:42])[CH3:43])[n:6][c:7](-[c:27]2[c:28]([Cl:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[c:8](-[c:20]2[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]2)[c:9]([O:11][c:12]2[cH:13][c:14]([F:19])[c:15]([F:18])[cH:16][cH:17]2)[n:10]1Participants
4
Sources & evidence
- ORD record
- ord-254f456f39764a308174f26e4cc55501
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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