HRID291893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2733180

未命名化合物

HCID58172933

1-methyl-5-(1-methyl-1H-pyrazol-5-yl)-1H-pyrrole-3-carboxylic acid

C10H11N3O2

结构：NC(Cc1ccccc1C(F)(F)F)CN1C(=O)c2ccccc2C1=O

HCID178510762

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1-c1ccnn1C

HCID178480538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-855b37ef68d1446fa36a2bfe93964e92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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