HRID119907

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：O=C(O)CCCCNC(=O)c1cccc(C=C2C(=O)Nc3ccc(F)cc32)c1

HCID69031932

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：Nc1cc(F)ccc1NC(=O)CCCCNC(=O)c1cccc(C=C2C(=O)Nc3ccc(F)cc32)c1

HCID69032362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e73825ee8634b66843da163f75ff388
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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