Isopropanol → HCID 67119272, compound
Reaction equation
[CH2:13]([CH:14]=[CH2:15])[O:16][c:17]1[c:18]([C:19](=[O:20])[OH:21])[c:22]([CH2:30][O:31][c:32]2[cH:33][cH:34][c:35](-[c:38]3[cH:39][cH:40][c:41]([CH2:44][C:45](=[O:46])[O:47][CH2:48][CH:49]=[CH2:50])[cH:42][cH:43]3)[cH:36][cH:37]2)[cH:23][cH:24][c:25]1[C:26]([F:27])([F:28])[F:29].[CH3:51][CH:52]([CH3:53])[OH:54].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:74]1[CH2:75][CH2:76][CH2:77][CH2:78]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[CH2:13]([CH:14]=[CH2:15])[O:16][c:17]1[c:18]([C:19](=[O:20])[O:21][CH:52]([CH3:51])[CH3:53])[c:22]([CH2:30][O:31][c:32]2[cH:33][cH:34][c:35](-[c:38]3[cH:39][cH:40][c:41]([CH2:44][C:45](=[O:46])[O:47][CH2:48][CH:49]=[CH2:50])[cH:42][cH:43]3)[cH:36][cH:37]2)[cH:23][cH:24][c:25]1[C:26]([F:27])([F:28])[F:29]Participants
6
Sources & evidence
- ORD record
- ord-19327c1643d1441c9d44217ddffbdf51
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…