HRID805688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID12476

Benzoic acid, 2-amino-5-chloro-

C7H6ClNO2

HCID130500

未命名化合物

结构：FC(F)(F)c1cccc(CCNCc2ccc(C3CC3)cc2)c1

HCID68695622

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1

HCID68699048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72af9ab0f1f7488486a31b587af0a05a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:59][N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[CH:12]1([c:15]2[cH:16][cH:17][c:18]([CH2:19][NH:20][CH2:21][CH2:22][c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)[cH:33][cH:34]2)[CH2:13][CH2:14]1.[NH2:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([Cl:11])[cH:9][cH:10]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[P-:35]([F: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>>[NH2:1][c:2]1[c:3]([C:4](=[O:6])[N:20]([CH2:19][c:18]2[cH:17][cH:16][c:15]([CH:12]3[CH2:13][CH2:14]3)[cH:34][cH:33]2)[CH2:21][CH2:22][c:23]2[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]2)[cH:7][c:8]([Cl:11])[cH:9][cH:10]1