Isopropanol → HCID 178448450, 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][c:13]2[cH:14][cH:15][c:16]([C:21](=[O:22])[NH:23][CH:24]([CH2:25][C:26]([NH2:27])=[O:28])[C:29](=[O:30])[NH:31][CH:32]([CH:33]([CH2:34][NH:35][C:36]([CH:37]3[N:38]([C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:39][CH2:40][CH2:41]3)=[O:46])[OH:47])[CH2:48][c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[cH:17][c:18]2[cH:19][cH:20]1.[CH:55]([OH:56])([CH3:57])[CH3:58]>>[O:8]=[C:9]([OH:10])[c:11]1[cH:12][c:13]2[cH:14][cH:15][c:16]([C:21](=[O:22])[NH:23][CH:24]([CH2:25][C:26]([NH2:27])=[O:28])[C:29](=[O:30])[NH:31][CH:32]([CH:33]([CH2:34][NH:35][C:36]([CH:37]3[N:38]([C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:39][CH2:40][CH2:41]3)=[O:46])[OH:47])[CH2:48][c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[cH:17][c:18]2[cH:19][cH:20]1Participants
3
Sources & evidence
- ORD record
- ord-1c064f3d909a4c15870e2bb99a63cb7f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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