Acetate → (1H-Pyrrolo[2,3-b]pyridin-3-yl)-[6-(4-trifluoromethyl-benzylamino)-pyridin-3-yl]-methanone

HRID 211639Notes

Reaction equation

HRID 211639 reaction equation
[C:36]([P:37]([C:38]([CH3:39])([CH3:40])[CH3:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1-[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)([CH3:54])([CH3:55])[CH3:56].[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[Cl: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.[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([CH2:25][NH2:26])[cH:27][cH:28]1)([F:29])[F:30].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:66].[Pd+2:61]>>[c:2]1([NH:26][CH2:25][c:24]2[cH:23][cH:22][c:21]([C:20]([F:19])([F:29])[F:30])[cH:28][cH:27]2)[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 175Acetate2×HCID 962WaterHCID 8028TetrahydrofuranHCID 768044-(Trifluoromethyl)benzylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 57588066(6-Chloro-pyridin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone

Product 1

HCID 11632642(1H-Pyrrolo[2,3-b]pyridin-3-yl)-[6-(4-trifluoromethyl-benzylamino)-pyridin-3-yl]-methanone

Sources & evidence

ORD record
ord-03031c338ec343cbbcc971977441ef38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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