Ammonium → 5-(2,4-Bis-benzyloxy-5-phenethylphenyl)-4-bromo-isoxazole-3-carboxylic acid ethylamide
Reaction equation
[Br:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[CH2:9]([CH3:10])[NH:11][C:12](=[O:13])[c:14]1[n:15][o:16][c:17](-[c:19]2[c:20]([O:41][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:21][c:22]([O:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:23]([CH2:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:24]2)[cH:18]1.[CH3:54][C:55]#[N:56].[NH4+:49].[O-:50][N+:51](=[O:52])[O-:53]>>[Br:1][c:18]1[c:14]([C:12]([NH:11][CH2:9][CH3:10])=[O:13])[n:15][o:16][c:17]1-[c:19]1[c:20]([O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:21][c:22]([O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:23]([CH2:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:24]1Participants
6
Sources & evidence
- ORD record
- ord-efa202d375ee4c1f9b4a8a2fe0b75054
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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