Toluene → N-[5-(1H-Pyrrolo[2,3-b]pyridine-3-carbonyl)-pyridin-2-yl]-4-trifluoromethyl-benzamide

HRID 163158

Reaction equation

HRID 163158 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[cH:11][nH:12][c:13]3[n:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cs+:36].[Cs+:37].[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[NH2:27])[cH:28][cH:29]1)([F:30])[F:31].[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:45].[Pd:46]>>[c:2]1([NH:27][C:25]([c:24]2[cH:23][cH:22][c:21]([C:20]([F:19])([F:30])[F:31])[cH:29][cH:28]2)=[O:26])[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[cH:11][nH:12][c:13]3[n:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 746844-(Trifluoromethyl)benzamideHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 59593347(6-Bromo-pyridin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone

Product 1

HCID 59593286N-[5-(1H-Pyrrolo[2,3-b]pyridine-3-carbonyl)-pyridin-2-yl]-4-trifluoromethyl-benzamide

Sources & evidence

ORD record
ord-72c1b29b928143d993aba658219fd31d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…