Bis(2-Methoxyethyl)amine → 5-[5-[[bis(2-methoxyethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-13-chloro-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one

HRID 299370Notes

Reaction equation

HRID 299370 reaction equation
[CH3:26][O:27][CH2:28][CH2:29][NH:30][CH2:31][CH2:32][O:33][CH3:34].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[C:8](=[O:25])[N:9]1[CH:10]([c:11]3[n:12]-2[cH:13][n:14][c:15]3-[c:16]2[n:17][o:18][c:19]([CH2:21][Cl:22])[n:20]2)[CH2:23][CH2:24]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[C:8](=[O:25])[N:9]1[CH:10]([c:11]3[n:12]-2[cH:13][n:14][c:15]3-[c:16]2[n:17][o:18][c:19]([CH2:21][N:30]([CH2:29][CH2:28][O:27][CH3:26])[CH2:31][CH2:32][O:33][CH3:34])[n:20]2)[CH2:23][CH2:24]1

Participants

4

Reactant 3

HCID 2383Bis(2-Methoxyethyl)amineHCID 6228DimethylformamideHCID 17851511913-chloro-5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one

Product 1

HCID 1784959325-[5-[[bis(2-methoxyethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-13-chloro-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one

Sources & evidence

ORD record
ord-26cfee33c5574734836f70816ac1c676
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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