Isopropanol → HCID 178448451, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH:18]([CH2:19][C:20]([NH2:21])=[O:22])[C:23](=[O:24])[NH:25][CH:26]([CH:27]([CH2:28][NH:29][C:30]([CH:31]2[N:32]([C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:33][CH2:34][CH2:35]2)=[O:40])[OH:41])[CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50]1.[CH:51]([OH:52])([CH3:53])[CH3:54]>>[O:8]=[C:9]([OH:10])[c:11]1[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH:18]([CH2:19][C:20]([NH2:21])=[O:22])[C:23](=[O:24])[NH:25][CH:26]([CH:27]([CH2:28][NH:29][C:30]([CH:31]2[N:32]([C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:33][CH2:34][CH2:35]2)=[O:40])[OH:41])[CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50]1Participants
3
Sources & evidence
- ORD record
- ord-e2ed4d77020f43ab9441e01c3400bd1b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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