Isopropanol → HCID 22261357, compound
Reaction equation
[CH3:1][O:2][c:3]1[c:4]([C:11]2=[N:15][CH:14]([C:16](=[O:17])[OH:18])[CH2:13][S:12]2)[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:38][N:39]([CH3:40])[c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1.[CH:19]([CH3:20])([CH3:21])[OH:22].[CH:23]1([N:24]=[C:25]=[N:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[CH3:1][O:2][c:3]1[c:4]([C:11]2=[N:15][CH:14]([C:16]([O:17][CH:19]([CH3:20])[CH3:21])=[O:18])[CH2:13][S:12]2)[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1Participants
6
Sources & evidence
- ORD record
- ord-d17283ed4c0d455392c5deec6df54683
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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