HRID161040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID230373

pyridazin-3-amine

C4H5N3

HCID12680056

未命名化合物

结构：FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1

HCID66876162

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1

HCID24771824

PF-04457845

C23H20F3N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-954032bfb8bb48a785d521ed1c76deed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][C:53]#[N:54].[ClH:1].[NH2:38][c:39]1[n:40][n:41][cH:42][cH:43][cH:44]1.[NH:2]1[CH2:3][CH2:4][C:5](=[CH:8][c:9]2[cH:10][c:11]([O:12][c:13]3[n:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[cH:23][cH:24][cH:25]2)[CH2:6][CH2:7]1.[n:26]1[n:27][c:28]([NH:32][C:33]([O:34][CH2:36][CH3:37])=[O:35])[cH:29][cH:30][cH:31]1>>[N:2]1([C:33]([NH:32][c:28]2[n:27][n:26][cH:31][cH:30][cH:29]2)=[O:34])[CH2:3][CH2:4][C:5](=[CH:8][c:9]2[cH:10][c:11]([O:12][c:13]3[n:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[cH:23][cH:24][cH:25]2)[CH2:6][CH2:7]1