Hexane → HCID 23113843, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH3:29])[c:4]([NH:21][C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:5]([CH3:20])[c:6]2[c:10]1[O:9][CH2:8][CH:7]2[c:11]1[cH:12][cH:13][c:14]([CH:17]([CH3:18])[CH3:19])[cH:15][cH:16]1.[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52]>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([O:31][CH3:30])[cH:37][cH:36]2)[c:3]([CH3:29])[c:4]([NH:21][C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:5]([CH3:20])[c:6]2[c:10]1[O:9][CH2:8][CH:7]2[c:11]1[cH:12][cH:13][c:14]([CH:17]([CH3:18])[CH3:19])[cH:15][cH:16]1Participants
5
Sources & evidence
- ORD record
- ord-de8e070a0b6c41818813f9a5c8be1c00
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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