1-(2-Fluoro-5-(trifluoromethyl)phenyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea → N-{4-[4-amino-6-methyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl}-N'-[4-(trifluoromethyl)pyridin-2-yl]urea

HRID 184179Notes

Reaction equation

HRID 184179 reaction equation
[Br:1][c:2]1[c:3]([CH3:19])[c:4]([CH2:12][N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[n:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[CH3:20][c:21]1[c:22]([NH:36][C:37](=[O:38])[NH:39][c:40]2[n:41][cH:42][cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]2)[cH:23][cH:24][c:25]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:26]1.[F:50][c:51]1[cH:52][cH:53][c:54]([C:55]([F:56])([F:57])[F:58])[cH:59][c:60]1[NH:61][C:62]([NH:63][c:64]1[cH:65][cH:66][c:67]([B:68]2[O:69][C:70]([CH3:71])([CH3:72])[C:73]([CH3:74])([CH3:75])[O:76]2)[cH:77][cH:78]1)=[O:79]>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([NH:36][C:37](=[O:38])[NH:39][c:40]3[n:41][cH:42][cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]3)[c:21]([CH3:20])[cH:26]2)[c:3]([CH3:19])[c:4]([CH2:12][N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[n:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12

Participants

4

Reactant 3

HCID 161252301-(2-Fluoro-5-(trifluoromethyl)phenyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ureaHCID 579551591-[2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-(trifluoromethyl)-pyridin-2-yl]ureaHCID 579552405-Bromo-6-methyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

Product 1

HCID 57955305N-{4-[4-amino-6-methyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl}-N'-[4-(trifluoromethyl)pyridin-2-yl]urea

Sources & evidence

ORD record
ord-079a2ee412334c649302b29c3a69f01f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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