Isopropanol → HCID 69201258, compound
Reaction equation
[CH3:29][O:30][c:31]1[cH:32][c:33]([NH2:34])[cH:35][cH:36][c:37]1[N:38]1[CH2:39][CH2:40][N:41]([CH3:44])[CH2:42][CH2:43]1.[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH:45]([OH:46])([CH3:47])[CH3:48].[OH:49][C:50]([C:51]([F:52])([F:53])[F:54])=[O:55].[n:1]1[cH:2][c:3]([CH2:7][O:8][C:9]([N:10]([c:11]2[c:12]([O:19][CH3:20])[cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[c:21]2[n:22][c:23]([Cl:27])[n:24][cH:25][cH:26]2)=[O:28])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH2:7][O:8][C:9]([N:10]([c:11]2[c:12]([O:19][CH3:20])[cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[c:21]2[n:22][c:23]([NH:34][c:33]3[cH:32][c:31]([O:30][CH3:29])[c:37]([N:38]4[CH2:39][CH2:40][N:41]([CH3:44])[CH2:42][CH2:43]4)[cH:36][cH:35]3)[n:24][cH:25][cH:26]2)=[O:28])[cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-7e1b27cb75c043bd9322a03ec85a508c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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