HRID945532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2759548

4-(2-methoxyphenyl)benzoic Acid

C14H12O3

结构：NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

HCID59559629

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1

HCID25166505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64da5bc263be435d9f6f61ce68317c18
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH3:54][O:55][c:56]1[c:57](-[c:62]2[cH:63][cH:64][c:65]([C:68](=[O:69])[OH:70])[cH:66][cH:67]2)[cH:58][cH:59][cH:60][cH:61]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:10].[NH2:11][CH2:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][N:18]([C:21]([c:22]2[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][cH:27]2)=[O:32])[CH2:19][CH2:20]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[NH:11]([CH2:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][N:18]([C:21]([c:22]2[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][cH:27]2)=[O:32])[CH2:19][CH2:20]1)[C:68]([c:65]1[cH:64][cH:63][c:62](-[c:57]2[c:56]([O:55][CH3:54])[cH:61][cH:60][cH:59][cH:58]2)[cH:67][cH:66]1)=[O:69]