Isopropanol → HCID 23496305, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]=[CH:11][CH:12]=[O:13].[CH2:39]([CH:40]1[NH:41][CH:42]([C:43]([CH3:44])([CH3:45])[CH3:46])[N:47]([CH3:48])[C:49]1=[O:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:60]([OH:61])([CH3:62])[CH3:63].[Cl:14][c:15]1[cH:16][cH:17][c:18]2[cH:19][cH:20][nH:21][c:22]2[cH:23]1.[Cl:57][CH2:58][Cl:59].[N+:24]([c:25]1[cH:26][c:27]([N+:28]([O-:29])=[O:30])[cH:31][cH:32][c:33]1[C:34]([OH:35])=[O:36])([O-:37])=[O:38]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]([CH2:11][CH:12]=[O:13])[c:19]1[c:18]2[cH:17][cH:16][c:15]([Cl:14])[cH:23][c:22]2[nH:21][cH:20]1Participants
7
Sources & evidence
- ORD record
- ord-6f0de1a6f79d4b47a7472b4f258c8f5d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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