Isopropanol → HCID 69203326, compound
Reaction equation
[CH3:29][N:30]([CH2:31][CH2:32][O:33][c:34]1[cH:35][cH:36][c:37]([NH2:40])[cH:38][cH:39]1)[CH3:41].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:42]([OH:43])([CH3:44])[CH3:45].[OH:46][C:47]([C:48]([F:49])([F:50])[F:51])=[O:52].[n:1]1[cH:2][c:3]([CH2:7][O:8][C:9]([N:10]([c:11]2[c:12]([O:19][CH3:20])[cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[c:21]2[n:22][c:23]([Cl:27])[n:24][cH:25][cH:26]2)=[O:28])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH2:7][O:8][C:9]([N:10]([c:11]2[c:12]([O:19][CH3:20])[cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[c:21]2[n:22][c:23]([NH:40][c:37]3[cH:36][cH:35][c:34]([O:33][CH2:32][CH2:31][N:30]([CH3:29])[CH3:41])[cH:39][cH:38]3)[n:24][cH:25][cH:26]2)=[O:28])[cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-864fd1906f9a447485a29b765c716665
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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