HRID2346301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID2776438

2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid

C11H6F3NO3

结构：NC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1

HCID3165136

1-(5-nitropyridin-2-yl)piperidine-4-carboxamide

C11H14N4O3

HCID16785688

未命名化合物

PRODUCTS

生成物

结构：NC(=O)C1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)CC1

HCID25119719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45e4e9e385114afc9a4ce46064da8e09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH2:68]([N:69]=[C:70]=[N:71][CH2:72][CH2:73][CH2:74][N:75]([CH3:76])[CH3:77])[CH3:78].[CH3:53][CH2:54][OH:55].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[CH3:79][N:80]([c:81]1[cH:82][cH:83][n:84][cH:85][cH:86]1)[CH3:87].[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[ClH:67].[N+:35]([c:36]1[cH:37][cH:38][c:39]([N:40]2[CH2:41][CH2:42][CH:43]([C:44]([NH2:45])=[O:46])[CH2:47][CH2:48]2)[n:49][cH:50]1)([O-:51])=[O:52].[NH2:19][c:20]1[cH:21][cH:22][c:23]([N:26]2[CH2:27][CH2:28][CH:29]([C:32](=[O:33])[NH2:34])[CH2:30][CH2:31]2)[n:24][cH:25]1.[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[c:1]1(-[c:7]2[o:8][c:9]([C:15]([F:16])([F:17])[F:18])[c:10]([C:12](=[O:13])[OH:14])[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[o:8][c:9]([C:15]([F:16])([F:17])[F:18])[c:10]([C:12](=[O:14])[NH:19][c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][CH2:28][CH:29]([C:32](=[O:33])[NH2:34])[CH2:30][CH2:31]4)[n:24][cH:25]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1