Acetate → 3-[3-[5-Methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide

HRID 313726Notes

Reaction equation

HRID 313726 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1.[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][C:66]#[N:67].[NH2:31][C:32](=[O:33])[CH:34]=[CH2:35].[O-:69][C:70]([CH3:71])=[O:72].[O-:73][C:74]([CH3:75])=[O:76].[Pd+2:68].[c:36]1([CH3:37])[cH:38][cH:39][cH:40][cH:41][c:42]1[P:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[CH3:57]>>[c:2]1([CH:35]=[CH:34][C:32]([NH2:31])=[O:33])[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 6579AcrylamideHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112135557-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)-imidazo[5,1-f][1,2,4]triazin-2-amine

Product 1

HCID 688691903-[3-[5-Methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide

Sources & evidence

ORD record
ord-22092aa2d4004012a745adce00dac618
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…