HRID157379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CCCN(CCC)C(=O)c1cc(C(=O)O)cc(-c2ncc[nH]2)c1

HCID21085785

未命名化合物

结构：CCc1cccc(CNCC(O)C(N)Cc2cc(F)cc(F)c2)c1

HCID21865731

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CNCc2cccc(CC)c2)cc(-c2ncc[nH]2)c1

HCID178457274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7f2ca323d3249bfbfbb36c900a04a57
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

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