Water → (4-(3-(3-Chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)phenyl)methanamine

HRID 676048Notes

Reaction equation

HRID 676048 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13](-[c:16]3[cH:17][c:18]([Cl:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]3)[n:14][o:15]2)[cH:9][cH:10]1.[OH2:51].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[NH2:1][CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13](-[c:16]3[cH:17][c:18]([Cl:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]3)[n:14][o:15]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 962WaterHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 595565965-(4-(Azidomethyl)phenyl)-3-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazole

Product 1

HCID 53247660(4-(3-(3-Chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)phenyl)methanamine

Sources & evidence

ORD record
ord-47c700d681a94d22898d6f0c2ad0edef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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