HRID1151050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID9965429

4-Methyl-N~3~-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

C16H15N5

结构：CN1CCC(=Cc2ccc(C(=O)Cl)cc2C(F)(F)F)CC1

HCID23145988

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(C=C3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1

HCID11238319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d312790c9a347feb6cbfb69cac9e3e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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