HRID187158

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

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID5018790

4-[2-(trifluoromethyl)phenoxy]piperidine

C12H14F3NO

HCID178525878

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2ccccc2C(F)(F)F)CC1)c1cc(-c2ccccc2)[nH]n1

HCID178523491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02516f9a51c94cbba93c22254562f893
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:49].[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56].[F:57][C:58]([c:59]1[c:60]([O:61][CH:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:68][cH:69][cH:70][cH:71]1)([F:72])[F:73].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:79].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[n:19][nH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:65]3[CH2:64][CH2:63][CH:62]([O:61][c:60]4[c:59]([C:58]([F:57])([F:72])[F:73])[cH:71][cH:70][cH:69][cH:68]4)[CH2:67][CH2:66]3)[n:19][nH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1