Isopropanol → HCID 44482113, compound
Reaction equation
[CH3:1][N:2]([C:3]([O:4][c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[C:14]2([CH2:20][O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1)=[O:29])[CH3:30].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[CH:51]([OH:52])([CH3:53])[CH3:54].[Cl:40][c:41]1[c:42]2[c:43]([n:44][cH:45][n:46]1)[nH:47][cH:48][c:49]2[CH3:50]>>[CH3:1][N:2]([C:3]([O:4][c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[C:14]2([CH2:20][O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:15][CH2:16][N:17]([c:41]3[c:42]4[c:43]([n:44][cH:45][n:46]3)[nH:47][cH:48][c:49]4[CH3:50])[CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1)=[O:29])[CH3:30]Participants
6
Sources & evidence
- ORD record
- ord-1addc815f9944775ae750edbae8befd3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…