Bromide ion → HCID 58689761, compound
Reaction equation
[Br-:53].[CH3:45][O:46][S:47]([O:48][CH3:49])(=[O:50])=[O:51].[CH3:54][CH2:55][CH2:56][CH2:57][N+:58]([CH2:59][CH2:60][CH2:61][CH3:62])([CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH3:70].[Cl:42][CH2:43][Cl:44].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][nH:11][n:12]2)[CH2:13][c:14]2[c:15]([N:22]([CH2:23][CH:24]3[CH2:25][CH2:26]3)[CH2:27][CH:28]3[CH2:29][CH2:30]3)[n:16][c:17]([CH3:21])[c:18]([CH3:20])[cH:19]2)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39].[Na+:41].[OH-:40].[OH2:52]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:43])[n:12]2)[CH2:13][c:14]2[c:15]([N:22]([CH2:23][CH:24]3[CH2:25][CH2:26]3)[CH2:27][CH:28]3[CH2:29][CH2:30]3)[n:16][c:17]([CH3:21])[c:18]([CH3:20])[cH:19]2)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39]Participants
9
Sources & evidence
- ORD record
- ord-b4c62e7f03464d498cb5756f8ee88a68
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…