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Ammonium → 4-(3-Hydroxymethyl-[1,2,4]oxadiazol-5-ylmethyl)-benzoic acid ethyl ester

HRID 1125432
Notes
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Reaction equation

HRID 1125432 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]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 223AmmoniumHCID 943Nitrate5×HCID 962WaterHCID 6342AcetonitrileHCID 119438Cerium(4+)HCID 666995654-[3-(4-Methoxy-phenoxymethyl)-[1,2,4]oxadiazol-5-ylmethyl]-benzoic acid ethyl ester

Product 1

HCID 66699592
4-(3-Hydroxymethyl-[1,2,4]oxadiazol-5-ylmethyl)-benzoic acid ethyl ester

Sources & evidence

ORD record
ord-f4d63933cbd74f46aac3b39f3acfeb7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes