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]phenyl}-N'-[4-(trifluoromethyl)pyridin-2-yl]urea

HRID 123000Notes

Reaction equation

HRID 123000 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([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26][B:27]([c:28]2[cH:29][cH:30][c:31]([NH:34][C:35](=[O:36])[NH:37][c:38]3[n:39][cH:40][cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]3)[cH:32][cH:33]2)[O:48]1.[F:49][c:50]1[cH:51][cH:52][c:53]([C:54]([F:55])([F:56])[F:57])[cH:58][c:59]1[NH:60][C:61]([NH:62][c:63]1[cH:64][cH:65][c:66]([B:67]2[O:68][C:69]([CH3:70])([CH3:71])[C:72]([CH3:73])([CH3:74])[O:75]2)[cH:76][cH:77]1)=[O:78]>>[c:2]1(-[c:28]2[cH:29][cH:30][c:31]([NH:34][C:35](=[O:36])[NH:37][c:38]3[n:39][cH:40][cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]3)[cH:32][cH:33]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 579552405-Bromo-6-methyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amineHCID 579552911-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-(trifluoromethyl)pyridin-2-yl]urea

Product 1

HCID 23653421N-{4-[4-amino-6-methyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl}-N'-[4-(trifluoromethyl)pyridin-2-yl]urea

Sources & evidence

ORD record
ord-ad1da74457104862aad4994ba113dfcf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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