HRID114867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID1049

Pyridine

C5H5N

HCID15908

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

C8H17N3

HCID302931

未命名化合物

结构：CC(C)(C)n1nccc1Nc1cccc(CC2(c3n[nH]c(=O)o3)CCNCC2)n1

HCID58097105

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)n1nccc1Nc1cccc(CC2(c3n[nH]c(=O)o3)CCN(C(=O)c3cccc(Cl)c3F)CC2)n1

HCID58097109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6d797202c7545a59a3880db924dbb0f
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

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