HRID1554259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID23145839

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

C15H14N6

结构：CC(C)(C)OC(=O)NC1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)C1=O

HCID23145918

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCC(NC(=O)OC(C)(C)C)C3=O)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1

HCID23145838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83baf2e63a90485cbe8a92c372fe4ee8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[C:10](=[O:28])[N:11]([CH2:14][c:15]2[c:16]([C:24]([F:25])([F:26])[F:27])[cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[CH2:12][CH2:13]1.[CH3:71][c:72]1[c:73]([NH:79][c:80]2[n:81][cH:82][cH:83][c:84](-[c:86]3[cH:87][n:88][cH:89][n:90][cH:91]3)[n:85]2)[cH:74][c:75]([NH2:76])[cH:77][cH:78]1.[CH3:92][N:93]([CH3:94])[CH:95]=[O:96].[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[OH2:97].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][P+:47]([N:48]2[CH2:49][CH2:50][CH2:51][CH2:52]2)([N:53]2[CH2:54][CH2:55][CH2:56][CH2:57]2)[N:58]2[CH2:59][CH2:60][CH2:61][CH2:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[C:10](=[O:28])[N:11]([CH2:14][c:15]2[c:16]([C:24]([F:25])([F:26])[F:27])[cH:17][c:18]([C:19](=[O:21])[NH:76][c:75]3[cH:74][c:73]([NH:79][c:80]4[n:81][cH:82][cH:83][c:84](-[c:86]5[cH:87][n:88][cH:89][n:90][cH:91]5)[n:85]4)[c:72]([CH3:71])[cH:78][cH:77]3)[cH:22][cH:23]2)[CH2:12][CH2:13]1