Bromide ion → HCID 58745507, compound
Reaction equation
[Br-:16].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1)=[O:14].[CH3:53][C:54]#[N:55].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:17][c:18]1[cH:19][c:20]([NH:25][c:26]2[n:27][cH:28][n:29][n:30]3[c:31]2[c:32]([CH2:35][N+:36]([CH2:37][CH3:38])([CH2:39][CH3:40])[CH2:41][CH3:42])[cH:33][cH:34]3)[cH:21][cH:22][c:23]1[F:24].[ClH:15].[OH2:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][N:11]([CH2:35][c:32]2[c:31]3[c:26]([NH:25][c:20]4[cH:19][c:18]([Cl:17])[c:23]([F:24])[cH:22][cH:21]4)[n:27][cH:28][n:29][n:30]3[cH:34][cH:33]2)[CH2:12][CH2:13]1)=[O:14]Participants
8
Sources & evidence
- ORD record
- ord-8531846cc56f4c8ba1ef36e207257b7e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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