HRID94740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID736256

5-(3-chlorophenyl)furan-2-carboxylic acid

C11H7ClO3

HCID11300488

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1-c1ccc(C(=O)NCC2CC2)cc1

HCID11397578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2d11a52d91444f8bebbbe58f4518e85
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

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