Isopropanol → HCID 44198068, compound
Reaction equation
[CH:37]([CH3:38])([CH3:39])[OH:40].[Cl:1][c:2]1[cH:3][c:4](-[c:14]2[cH:15][c:16](-[c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[N:28]4[CH2:29][CH2:30][N:31]([CH:34]([CH3:35])[CH3:36])[CH2:32][CH2:33]4)[cH:24][cH:25]3)[cH:17][n:18][cH:19]2)[n:5][c:6](-[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[n:7]1>>[c:2]1([O:40][CH:37]([CH3:38])[CH3:39])[cH:3][c:4](-[c:14]2[cH:15][c:16](-[c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[N:28]4[CH2:29][CH2:30][N:31]([CH:34]([CH3:35])[CH3:36])[CH2:32][CH2:33]4)[cH:24][cH:25]3)[cH:17][n:18][cH:19]2)[n:5][c:6](-[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[n:7]1Participants
3
Sources & evidence
- ORD record
- ord-02208a1d6afa4d5c8a9609861e8e7089
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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