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

HRID 104315Notes

Reaction equation

HRID 104315 reaction equation
[CH2:103]1[O:104][CH2:105][CH2:106][CH2:107]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[cH:17][cH:18][c:19]([NH:20][C:21](=[O:22])[CH2:23][C:24]([NH:25][c:26]4[cH:27][cH:28][c:29]([F:30])[cH:31][cH:32]4)=[O:33])[cH:34][c:35]3[F:36])[n:14]2)[cH:37][cH:38]1.[CH3:52][O:53][c:54]1[cH:55][cH:56][c:57]([CH2:58][NH:59][c:60]2[n:61][cH:62][n:63][c:64]([O:65][c:67]3[c:68]([F:87])[cH:69][c:70]([NH:73][C:74](=[O:75])[NH:76][C:77]([CH2:78][c:79]4[cH:80][cH:81][c:82]([F:85])[cH:83][cH:84]4)=[O:86])[cH:71][cH:72]3)[cH:66]2)[cH:88][cH:89]1.[CH3:97][CH2:98][O:99][C:100]([CH3:101])=[O:102].[CH:90]([O:91][CH:92]([CH3:93])[CH3:94])([CH3:95])[CH3:96].[Cl:108][CH2:109][Cl:110].[F:39][c:40]1[cH:41][cH:42][c:43]([CH2:44][C:45]([N:46]=[C:47]=[O:48])=[O:49])[cH:50][cH:51]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:67]3[c:68]([F:87])[cH:69][c:70]([NH:73][C:74](=[O:75])[NH:76][C:77]([CH2:78][c:79]4[cH:80][cH:81][c:82]([F:85])[cH:83][cH:84]4)=[O:86])[cH:71][cH:72]3)[n:14]2)[cH:37][cH:38]1

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 115698931-(4-(6-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)ureaHCID 231530882-(4-Fluorophenyl)acetyl isocyanateHCID 59852883N1-(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-bfb54420de5c420eac2d8f2a1ebf9c89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…