Ammonium → 5-(2,4-Bis-benzyloxy-5-chloro-phenyl)-4-iodo-isoxazole-3-carboxylic acid ethylamide
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:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:13][c:14]([O:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:15]([Cl:17])[cH:16]2)[cH:10]1.[CH3:64][C:65]#[N:66].[Ce+4:46].[I:34][N:35]1[C:36](=[O:37])[CH2:38][CH2:39][C:40]1=[O:41].[N+:42]([O-:43])([O-:44])=[O:45].[N+:48]([O-:49])([O-:50])=[O:51].[N+:52]([O-:53])([O-:54])=[O:55].[N+:56]([O-:57])([O-:58])=[O:59].[N+:60]([O-:61])([O-:62])=[O:63].[NH4+:47]>>[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:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:13][c:14]([O:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:15]([Cl:17])[cH:16]2)[c:10]1[I:34]Participants
7
Sources & evidence
- ORD record
- ord-b2eee13c795f4b2f835eb21b7cb6b7f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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