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Toluene → 1-(4-(2-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)urea

HRID 306987
Notes
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Reaction equation

HRID 306987 reaction equation
[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([O:15][c:16]3[c:17]([F:36])[cH:18][c:19]([NH:22][C:23](=[O:24])[CH2:25][C:26]([NH:27][c:28]4[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]4)=[O:35])[cH:20][cH:21]3)[n:14]2)[cH:37][cH:38]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[CH:59]([O:60][CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:77][CH2:78][Cl:79].[F:39][c:40]1[cH:41][cH:42][c:43]([CH2:46][C:47](=[O:48])[N:49]=[C:50]=[O:51])[cH:44][cH:45]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([O:15][c:16]3[c:17]([F:36])[cH:18][c:19]([NH:22][C:50]([NH:49][C:47]([CH2:46][c:43]4[cH:42][cH:41][c:40]([F:39])[cH:45][cH:44]4)=[O:48])=[O:51])[cH:20][cH:21]3)[n:14]2)[cH:37][cH:38]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 1140TolueneHCID 6344DichloromethaneHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 231530882-(4-Fluorophenyl)acetyl isocyanateHCID 59852883
N1-(4-(2-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-N3-(4-fluorophenyl)malonamide

Product 1

HCID 115698941-(4-(2-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)urea

Sources & evidence

ORD record
ord-f23456fb5010487e8f741dfd1d4ff61c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes