HRID146689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID268473

未命名化合物

结构：Nc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

HCID23155080

未命名化合物

结构：c1cc(O[P+](N2CCCC2)(N2CCCC2)N2CCCC2)c2nn[nH]c2c1

HCID178420718

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)OC(C)(C)C)C(=O)c1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

HCID69318573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c27f9010dbaf4f4b91dc71d897fd6bd1
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

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