HRID824626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID24386

Thionyl chloride

Cl2OS

HCID11572026

4-(2-pyrrolidon-1-yl)cyclohexylcarboxylic acid

C11H17NO3

HCID23125019

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)cn1)c1cc2ccccc2cc1NC(=O)C1CCC(N2CCCC2=O)CC1

HCID23125006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bec8472218344a19a744b82e5d684714
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

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