Ammonium → 5-(2,4-Bis-benzyloxy-5-tert-butyl-phenyl)-4-iodo-isoxazole-3-carboxylic acid ethylamide

HRID 169342

Reaction equation

HRID 169342 reaction equation
[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:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:21][c:22]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:23]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:24]2)[cH:18]1.[CH3:51][C:52]#[N:53].[Ce:49].[I:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[N+:45]([O-:46])([O-:47])=[O:48].[NH4+:50]>>[I: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:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:21][c:22]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:23]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:24]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 943NitrateHCID 6342AcetonitrileHCID 23974CeriumHCID 120273N-IodosuccinimideHCID 247733555-(2,4-Bis-benzyloxy-5-tert-butyl-phenyl)-isoxazole-3-carboxylic acid ethylamide

Product 1

HCID 247734485-(2,4-Bis-benzyloxy-5-tert-butyl-phenyl)-4-iodo-isoxazole-3-carboxylic acid ethylamide

Sources & evidence

ORD record
ord-15f76417713b46e1922260820b04666d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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