Hexane → HCID 23114403, compound
Reaction equation
[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[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]([CH3:35])[c:16]([NH:26][C:27]([O:28][CH2:29][C:30]([Cl:31])([Cl:32])[Cl:33])=[O:34])[c:17]([CH3:25])[c:18]3-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:8][cH:9]1.[NH2:36][CH2:37][CH2:38][CH2:39][OH:40]>>[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]([CH3:35])[c:16]([NH:26][C:27](=[O:34])[NH:36][CH2:37][CH2:38][CH2:39][OH:40])[c:17]([CH3:25])[c:18]3-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:8][cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-4b954ecea4e64e819f516bcc885fc6ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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