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]-2,5-difluorophenyl}-N'-[2-fluoro-5-(trifluoromethyl)-phenyl]urea

HRID 1566694Notes

Reaction equation

HRID 1566694 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.[F:20][c:21]1[c:22]([NH:37][C:38](=[O:39])[NH:40][c:41]2[c:42]([F:51])[cH:43][cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]2)[cH:23][c:24]([F:36])[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:52][c:53]1[cH:54][cH:55][c:56]([C:57]([F:58])([F:59])[F:60])[cH:61][c:62]1[NH:63][C:64]([NH:65][c:66]1[cH:67][cH:68][c:69]([B:70]2[O:71][C:72]([CH3:73])([CH3:74])[C:75]([CH3:76])([CH3:77])[O:78]2)[cH:79][cH:80]1)=[O:81]>>[c:2]1(-[c:25]2[c:24]([F:36])[cH:23][c:22]([NH:37][C:38](=[O:39])[NH:40][c:41]3[c:42]([F:51])[cH:43][cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]3)[c:21]([F: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 579552405-Bromo-6-methyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amineHCID 592319651-[2,5-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)-phenyl]urea

Product 1

HCID 57955330N-{4-[4-amino-6-methyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,5-difluorophenyl}-N'-[2-fluoro-5-(trifluoromethyl)-phenyl]urea

Sources & evidence

ORD record
ord-9af2a801df5c4bc889dcf1f5da278000
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…