Diisopropyl Ether → 1-(4-(6-(4-(Benzyloxy)phenylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)urea

HRID 300308Notes

Reaction equation

HRID 300308 reaction equation
[CH2:102]1[O:103][CH2:104][CH2:105][CH2:106]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([NH:15][c:16]2[cH:17][c:18]([O:22][c:23]3[cH:24][cH:25][c:26]([NH:27][C:28](=[O:29])[CH2:30][C:31]([NH:32][c:33]4[cH:34][cH:35][c:36]([F:37])[cH:38][cH:39]4)=[O:40])[cH:41][c:42]3[F:43])[n:19][cH:20][n:21]2)[cH:13][cH:14]1.[CH3:57][O:58][c:59]1[cH:60][cH:61][c:62]([CH2:63][NH:64][c:65]2[n:66][cH:67][n:68][c:69]([O:70][c:72]3[c:73]([F:92])[cH:74][c:75]([NH:78][C:79](=[O:80])[NH:81][C:82]([CH2:83][c:84]4[cH:85][cH:86][c:87]([F:90])[cH:88][cH:89]4)=[O:91])[cH:76][cH:77]3)[cH:71]2)[cH:93][cH:94]1.[CH:95]([O:96][CH:97]([CH3:98])[CH3:99])([CH3:100])[CH3:101].[F:44][c:45]1[cH:46][cH:47][c:48]([CH2:49][C:50]([N:51]=[C:52]=[O:53])=[O:54])[cH:55][cH:56]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([NH:15][c:16]2[cH:17][c:18]([O:22][c:72]3[c:73]([F:92])[cH:74][c:75]([NH:78][C:79](=[O:80])[NH:81][C:82]([CH2:83][c:84]4[cH:85][cH:86][c:87]([F:90])[cH:88][cH:89]4)=[O:91])[cH:76][cH:77]3)[n:19][cH:20][n:21]2)[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 115698931-(4-(6-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)ureaHCID 231530882-(4-Fluorophenyl)acetyl isocyanateHCID 59853038N-(4-(6-(4-(Benzyloxy)phenylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-N3-(4-fluorophenyl)malonamide

Product 1

HCID 598529601-(4-(6-(4-(Benzyloxy)phenylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)urea

Sources & evidence

ORD record
ord-c35864460aa84f1cb5ec0a0ebea4950e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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