Hexane → HCID 178450711, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[N:8]([CH2:12][CH:13]([CH:14]([CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[NH:22][C:23]([CH:24]([NH2:25])[CH2:26][C:27]([NH2:28])=[O:29])=[O:30])[OH:31])[CH2:9][CH2:10][CH2:11]1)=[O:32].[C:33]([CH2:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)(=[O:42])[Cl:43].[C:59]([O:60][CH2:61][CH3:62])(=[O:63])[CH3:64].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[N:8]([CH2:12][CH:13]([CH:14]([CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[NH:22][C:23]([CH:24]([NH:25][C:33]([CH2:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:42])[CH2:26][C:27]([NH2:28])=[O:29])=[O:30])[OH:31])[CH2:9][CH2:10][CH2:11]1)=[O:32]Participants
6
Sources & evidence
- ORD record
- ord-b474a4ef70b84904909fce7823980eb3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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