Dimethylformamide → N-(4-(6-(4-(Benzyloxy)phenylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-N3-(4-fluorophenyl)malonamide

HRID 1552274Notes

Reaction equation

HRID 1552274 reaction equation
[B-:60]([F:61])([F:62])([F:63])[F:64].[CH3:91][O:92][c:93]1[cH:94][cH:95][c:96]([CH2:97][NH:98][c:99]2[n:100][c:101]([O:102][c:103]3[cH:104][cH:105][c:106]([NH:107][C:113]([CH2:114][C:115](=[O:116])[NH:117][c:118]4[cH:119][cH:120][c:121]([F:124])[cH:122][cH:123]4)=[O:125])[cH:108][c:109]3[F:110])[cH:111][cH:112][n:126]2)[cH:127][cH:128]1.[CH:129]([O:130][CH:131]([CH3:132])[CH3:133])([CH3:134])[CH3:135].[CH:82]([N:83]([CH2:84][CH3:85])[CH:86]([CH3:87])[CH3:88])([CH3:89])[CH3:90].[NH2:1][c:2]1[cH:3][c:4]([F:30])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:18][cH:19]3)[n:10][cH:11][n:12]2)[cH:28][cH:29]1.[NH2:31][c:32]1[n:33][cH:34][n:35][c:36]([O:37][c:38]2[cH:39][cH:40][c:41]([NH:42][C:43]([NH:44][C:45](=[O:46])[CH2:47][c:48]3[cH:49][cH:50][c:51]([F:52])[cH:53][cH:54]3)=[S:55])[cH:56][c:57]2[F:58])[cH:59]1.[O:136]=[CH:137][N:138]([CH3:139])[CH3:140].[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[NH:1]([c:2]1[cH:3][c:4]([F:30])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:18][cH:19]3)[n:10][cH:11][n:12]2)[cH:28][cH:29]1)[C:113]([CH2:114][C:115](=[O:116])[NH:117][c:118]1[cH:119][cH:120][c:121]([F:124])[cH:122][cH:123]1)=[O:125]

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 7914Diisopropyl EtherHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 115389121-(4-(6-Aminopyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)thioureaHCID 59852883N1-(4-(2-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-N3-(4-fluorophenyl)malonamideHCID 598530036-(4-Amino-2-fluorophenoxy)-N-(4-(benzyloxy)phenyl)pyrimidin-4-amine

Product 1

HCID 59853038N-(4-(6-(4-(Benzyloxy)phenylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-N3-(4-fluorophenyl)malonamide

Sources & evidence

ORD record
ord-eaca7fbd1e67468fa083ab40d605d712
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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