Hexane → HCID 23114378, compound
Reaction equation
[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][O:12][c:13]3[c:14]2[c:15]([CH3:30])[c:16]([NH:21][C:22]([O:23][CH2:24][C:25]([Cl:26])([Cl:27])[Cl:28])=[O:29])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1.[NH2:31][C:32]([CH2:33][OH:34])([CH3:35])[CH3:36]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][O:12][c:13]3[c:14]2[c:15]([CH3:30])[c:16]([NH:21][C:22](=[O:29])[NH:31][C:32]([CH2:33][OH:34])([CH3:35])[CH3:36])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-19a67683c320462f9fb31022c0989a6b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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