HRID2344608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2724700

未命名化合物

HCID17851702

未命名化合物

结构：CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(N)c4)nc4ccccc34)ccc21

HCID66825994

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)Nc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1)C(=O)OC(C)(C)C

HCID68789432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da76e3f3b9764a1f880395ec6c4dc490
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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