HRID2333407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID164584

4-Fluorobenzene-1,2-diamine

C6H7FN2

结构：Cc1[nH]c(C=NN=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCCC(=O)O

HCID136387947

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]c(C=NN=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCCC(=O)Nc1ccc(F)cc1N

HCID136387949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74c6bc4f9e0949a6a6bacc657c3f992d
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

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