HRID107088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID46475

N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H15N

HCID130500

未命名化合物

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(C(=O)O)cs2)CC1

HCID67151088

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(C(=O)N(C)C3CCCc4ccccc43)cs2)CC1

HCID178426059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb7dbcd5586849d69256c431c8d51807
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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