Dichloromethane → 1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(piperazin-1-yl)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea

HRID 1226888Notes

Reaction equation

HRID 1226888 reaction equation
[CH:1]12[CH2:2][N:3]([c:9]3[n:10][c:11]([N:31]4[CH2:32][CH2:33][N:34]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:35][CH2:36]4)[n:12][c:13](-[c:15]4[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[NH:24][c:25]5[cH:26][cH:27][n:28][cH:29][cH:30]5)[cH:19][cH:20]4)[n:14]3)[CH2:4][CH:5]([CH2:6][CH2:7]1)[O:8]2.[Cl:51][CH2:52][Cl:53].[OH:44][C:45]([C:46]([F:47])([F:48])[F:49])=[O:50]>>[CH:1]12[CH2:2][N:3]([c:9]3[n:10][c:11]([N:31]4[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]4)[n:12][c:13](-[c:15]4[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[NH:24][c:25]5[cH:26][cH:27][n:28][cH:29][cH:30]5)[cH:19][cH:20]4)[n:14]3)[CH2:4][CH:5]([CH2:6][CH2:7]1)[O:8]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 44548641Tert-butyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-(3-pyridin-4-ylureido)phenyl)-1,3,5-triazin-2-yl)piperazine-1-carboxylate

Product 1

HCID 445486421-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(piperazin-1-yl)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea

Sources & evidence

ORD record
ord-c2ce5c9bb32a43328bbc0201760e2ea1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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