Water → 3-(8-(2,6-difluorophenyl)-2-{[2-(dimethylamino)ethyl]amino}-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)-N-propylbenzamide

HRID 826155Notes

Reaction equation

HRID 826155 reaction equation
[CH3:35][CH2:36][CH2:37][NH2:38].[CH:63]([N:64]([CH:65]([CH3:66])[CH3:67])[CH2:68][CH3:69])([CH3:70])[CH3:71].[Cl:72][CH2:73][Cl:74].[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:34])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([NH:28][CH2:29][CH2:30][N:31]([CH3:32])[CH3:33])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][cH:27]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[OH2:75].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:34])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([NH:28][CH2:29][CH2:30][N:31]([CH3:32])[CH3:33])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:24])[NH:38][CH2:37][CH2:36][CH3:35])[cH:25][cH:26][cH:27]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6344DichloromethaneHCID 7852PropylamineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57530501HCID 57530501, compound

Product 1

HCID 592080033-(8-(2,6-difluorophenyl)-2-{[2-(dimethylamino)ethyl]amino}-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)-N-propylbenzamide

Sources & evidence

ORD record
ord-d00adf777379448099c2651b6adb4972
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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