Hexane → HCID 23577081, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:38]([O:39][CH2:40][CH3:41])(=[O:42])[CH3:43].[CH2:21]([CH3:22])[O:23][C:24](=[O:25])[c:26]1[cH:27][c:28]2[c:29]([n:30][c:31]([Cl:34])[n:32][cH:33]2)[n:35][c:36]1[NH2:37].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH:20][c:31]3[n:30][c:29]4[c:28]([cH:27][c:26]([C:24]([O:23][CH2:21][CH3:22])=[O:25])[c:36]([NH2:37])[n:35]4)[cH:33][n:32]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1Participants
6
Sources & evidence
- ORD record
- ord-ce4880b3ce0c4ee19020c6f28435fdd1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…