Hexane → HCID 11749834, compound
Reaction equation
[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[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][CH2:32][CH2:33][CH2:34][OH:35]>>[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][CH2:32][CH2:33][CH2:34][OH:35])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-26f052e5d8d649f2a7b7eef2b7e574f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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