Bromide ion → HCID 54064235, compound
Reaction equation
[Br-:40].[CH3:18][C:19]1([CH3:35])[CH:20]([C:32](=[O:33])[OH:34])[CH:21]1[CH:22]=[C:23]([c:24]1[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]1)[Br:31].[CH3:41][CH2:42][CH2:43][CH2:44][N+:45]([CH2:46][CH2:47][CH2:48][CH3:49])([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:65][CH2:66][CH2:67][CH2:68][CH2:69][CH3:70].[Cl-:17].[Na:36][C:37]#[N:38].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH:11]=[O:12])[cH:13][cH:14][c:15]1[F:16].[OH2:39]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH:11]([O:12][C:32]([CH:20]2[C:19]([CH3:18])([CH3:35])[CH:21]2[CH:22]=[C:23]([c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[Br:31])=[O:33])[C:37]#[N:38])[cH:13][cH:14][c:15]1[F:16]Participants
10
Sources & evidence
- ORD record
- ord-800b232f20434a099ae133f6530d2196
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…