Isopropanol → HCID 12862276, compound
Reaction equation
[CH2:21]1[CH2:22][CH2:23][C:24]2=[N:29][CH2:28][CH2:27][CH2:26][N:25]2[CH2:30][CH2:31]1.[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[CH:17]([CH3:18])([CH3:19])[OH:20].[NH2:1][c:2]1[n:3][c:4](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:5]([C:9]#[N:10])[c:6]([Cl:8])[n:7]1>>[NH2:1][c:2]1[n:3][c:4](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:5]([C:9]#[N:10])[c:6]([O:20][CH:17]([CH3:18])[CH3:19])[n:7]1Participants
5
Sources & evidence
- ORD record
- ord-52fa176c54334f62afa1a370a3f0f99b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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