HRID2139098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7263

4-Chloro-1,2-diaminobenzene

C6H7ClN2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

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

HCID136387951

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)NCCCCCC(=O)Nc1ccc(Cl)cc1N

HCID136387955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9fe388e3cf1477c8babd9f4549b9b56
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

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