HRID1134469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID23145839

4-Methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]aniline

C15H14N6

结构：O=C(O)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1

HCID23145945

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(CCF)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1

HCID11157653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17316aa5c0134cf78e33166dfe47d501
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

[CH3:33][c:34]1[c:35]([NH:41][c:42]2[n:43][cH:44][cH:45][c:46](-[c:48]3[cH:49][n:50][cH:51][n:52][cH:53]3)[n:47]2)[cH:36][c:37]([NH2:38])[cH:39][cH:40]1.[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[Cl:25][c:26]1[cH:27][cH:28][cH:29][cH:30][n+:31]1[CH3:32].[F:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][N:7]([CH2:10][c:11]2[c:12]([C:20]([F:21])([F:22])[F:23])[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19]2)[CH2:8][CH2:9]1.[I-:24].[OH2:68]>>[F:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][N:7]([CH2:10][c:11]2[c:12]([C:20]([F:21])([F:22])[F:23])[cH:13][c:14]([C:15](=[O:16])[NH:38][c:37]3[cH:36][c:35]([NH:41][c:42]4[n:43][cH:44][cH:45][c:46](-[c:48]5[cH:49][n:50][cH:51][n:52][cH:53]5)[n:47]4)[c:34]([CH3:33])[cH:40][cH:39]3)[cH:18][cH:19]2)[CH2:8][CH2:9]1