HRID211639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID76804

4-(Trifluoromethyl)benzylamine

C8H8F3N

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID57588066

(6-Chloropyridin-3-yl)(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C13H8ClN3O

PRODUCTS

生成物

结构：O=C(c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12

HCID11632642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03031c338ec343cbbcc971977441ef38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[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