Ammonium → 5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethyl-4-iodoisoxazole-3-carboxamide
Reaction equation
[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9](-[c:11]2[c:12]([O:28][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:13][c:14]([O:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:15]([CH:17]([CH3:18])[CH3:19])[cH:16]2)[cH:10]1.[CH3:49][C:50]#[N:51].[I:36][N:37]1[C:38](=[O:39])[CH2:40][CH2:41][C:42]1=[O:43].[NH4+:44].[O-:45][N+:46](=[O:47])[O-:48]>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9](-[c:11]2[c:12]([O:28][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:13][c:14]([O:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:15]([CH:17]([CH3:18])[CH3:19])[cH:16]2)[c:10]1[I:36]Participants
6
Sources & evidence
- ORD record
- ord-537b68444a394874bf0a73155597d634
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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