Hexane → HCID 18406037, compound
Reaction equation
[CH2:54]1[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]1.[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[S:7])[c:8]1[c:9]([CH2:15][CH3:16])[cH:10][cH:11][cH:12][c:13]1[CH3:14])[CH2:17][c:18]1[cH:19][cH:20][c:21]([NH:24][C:25]([CH:26]([CH2:27][c:28]2[cH:29][n:30][cH:31][cH:32][cH:33]2)[NH:34][C:35]([O:36][CH2:37][CH:38]2[c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)-[c:45]3[c:46]2[cH:47][cH:48][cH:49][cH:50]3)=[O:51])=[O:52])[cH:22][cH:23]1)=[O:53].[CH3:60][N:61]1[CH2:62][CH2:63][CH2:64][C:65]1=[O:66].[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[S:7])[c:8]1[c:9]([CH2:15][CH3:16])[cH:10][cH:11][cH:12][c:13]1[CH3:14])[CH2:17][c:18]1[cH:19][cH:20][c:21]([NH:24][C:25]([CH:26]([CH2:27][c:28]2[cH:29][n:30][cH:31][cH:32][cH:33]2)[NH2:34])=[O:52])[cH:22][cH:23]1)=[O:53]Participants
5
Sources & evidence
- ORD record
- ord-7056ef3d292a4bddbabc39bab5c5002a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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