Toluene → HCID 59153161, compound
Reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24]([NH:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][OH:34])[cH:31][cH:32]1)=[O:35].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:55]=[C:56]([O:57][CH:58]([CH3:59])[CH3:60])[N:61]=[N:62][C:63]([O:64][CH:65]([CH3:66])[CH3:67])=[O:68].[OH:1][c:2]1[c:3]([C:13]([CH2:14][CH:15]([CH3:16])[CH3:17])=[O:18])[cH:4][cH:5][c:6]([OH:12])[c:7]1[C:8]([F:9])([F:10])[F:11].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[OH:1][c:2]1[c:3]([C:13]([CH2:14][CH:15]([CH3:16])[CH3:17])=[O:18])[cH:4][cH:5][c:6]([O:12][CH2:33][c:30]2[cH:29][cH:28][c:27]([CH2:26][NH:25][C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:35])[cH:32][cH:31]2)[c:7]1[C:8]([F:9])([F:10])[F:11]Participants
6
Sources & evidence
- ORD record
- ord-f56df967446b4a3ca20339acc956a8b9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…