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-phenylbenzamide

HRID 2151752Notes

Reaction equation

HRID 2151752 reaction equation
[CH:66]([N:67]([CH:68]([CH3:69])[CH3:70])[CH2:71][CH3:72])([CH3:73])[CH3:74].[Cl:75][CH2:76][Cl:77].[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.[NH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[OH2:78].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]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:23])[NH:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:25][cH:26][cH:27]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6115AnilineHCID 6344DichloromethaneHCID 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 592081063-(8-(2,6-difluorophenyl)-2-{[2-(dimethylamino)ethyl]amino}-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)-N-phenylbenzamide

Sources & evidence

ORD record
ord-9420649ad8a24db8975696fb52fa9396
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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