HRID2148628

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)NCCCCCCCC(=O)O

HCID136387972

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)NCCCCCCCC(=O)Nc1ccc(F)cc1N

HCID136387974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69774f4dabd24517b84678d96a96df30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:36]([N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[CH3:46].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[ClH:35].[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]([CH3:34])[c:17]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33])[c:18]([CH3:20])[nH:19]1.[F:64][c:65]1[cH:66][c:67]([NH2:72])[c:68]([NH2:71])[cH:69][cH:70]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:47][c:48]1[c:49]2[n:50][n:51][nH:52][c:53]2[cH:54][cH:55][cH:56]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]([CH3:34])[c:17]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31](=[O:33])[NH:71][c:68]2[c:67]([NH2:72])[cH:66][c:65]([F:64])[cH:70][cH:69]2)[c:18]([CH3:20])[nH:19]1