Benzene → HCID 44301216, compound
Reaction equation
[BrH:14].[BrH:15].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH:9]2[O:10][CH2:11]2)[cH:12][cH:13]1.[CH3:46][OH:47].[F:16][c:17]1[cH:18][cH:19][c:20]([CH2:23][n:24]2[c:25]([NH:33][CH:34]3[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]3)[n:26][c:27]3[c:28]2[cH:29][cH:30][cH:31][cH:32]3)[cH:21][cH:22]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH:9]([OH:10])[CH2:11][N:37]2[CH2:36][CH2:35][CH:34]([NH:33][c:25]3[n:24]([CH2:23][c:20]4[cH:19][cH:18][c:17]([F:16])[cH:22][cH:21]4)[c:28]4[c:27]([n:26]3)[cH:32][cH:31][cH:30][cH:29]4)[CH2:39][CH2:38]2)[cH:12][cH:13]1Participants
8
Sources & evidence
- ORD record
- ord-57cc9474c9e245eb9c178dfb0eccb3f2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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