Ammonium → 4-(3-Hydroxymethyl-[1,2,4]oxadiazol-5-ylmethyl)-benzoic acid ethyl ester
Reaction equation
[CH2:23]([CH3:24])[O:25][C:26]([c:27]1[cH:28][cH:29][c:30]([CH2:33][c:34]2[n:35][c:36]([CH2:39][O:40][c:41]3[cH:42][cH:43][c:44]([O:45][CH3:46])[cH:47][cH:48]3)[n:37][o:38]2)[cH:31][cH:32]1)=[O:49].[CH3:50][C:51]#[N:52].[Ce+4:5].[N+:11]([O-:12])([O-:13])=[O:14].[N+:15]([O-:16])([O-:17])=[O:18].[N+:19]([O-:20])([O-:21])=[O:22].[N+:1]([O-:2])([O-:3])=[O:4].[N+:7]([O-:8])([O-:9])=[O:10].[NH4+:6].[OH2:53]>>[CH2:23]([CH3:24])[O:25][C:26]([c:27]1[cH:28][cH:29][c:30]([CH2:33][c:34]2[n:35][c:36]([CH2:39][OH:40])[n:37][o:38]2)[cH:31][cH:32]1)=[O:49]Participants
7
Sources & evidence
- ORD record
- ord-f4d63933cbd74f46aac3b39f3acfeb7e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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