Hexane → HCID 58914771, compound
Reaction equation
[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:25][c:26]1[cH:27][cH:28][c:29]([N+:33](=[O:34])[O-:35])[c:30]([NH2:32])[n:31]1.[NH2:1][CH2:2][CH2:3][CH2:4][n:5]1[cH:6][c:7]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[c:8](-[c:10]2[c:11]([Cl:17])[cH:12][c:13]([Cl:16])[cH:14][cH:15]2)[cH:9]1>>[NH:1]([CH2:2][CH2:3][CH2:4][n:5]1[cH:6][c:7]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[c:8](-[c:10]2[c:11]([Cl:17])[cH:12][c:13]([Cl:16])[cH:14][cH:15]2)[cH:9]1)[c:26]1[cH:27][cH:28][c:29]([N+:33](=[O:34])[O-:35])[c:30]([NH2:32])[n:31]1Participants
6
Sources & evidence
- ORD record
- ord-3a437f65e3f3477fa97329f19747212f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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