HRID109468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID31374

Dimethylacetamide

C4H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID67548929

4-Chloro-5-ethyl-1H-imidazole-2-carboxylic acid

C6H7ClN2O2

HCID67549303

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(C2=CCC(NC(=O)c3nc(Cl)c(CC)[nH]3)CC2)c1

HCID67549169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec63f0fd795e4eb7a6ae1f19502475f7
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

[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:62][N:63]([CH3:64])[C:65](=[O:66])[CH3:67].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[Cl:19][c:20]1[n:21][c:22]([C:27](=[O:28])[OH:29])[nH:23][c:24]1[CH2:25][CH3:26].[Cl:59][CH2:60][Cl:61].[ClH:40].[F:69][C:70]([F:71])([F:72])[C:73]([OH:74])=[O:75].[NH2:1][CH:2]1[CH2:3][CH:4]=[C:5]([c:8]2[cH:9][c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17][cH:18]2)[CH2:6][CH2:7]1.[OH2:68].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[NH:1]([CH:2]1[CH2:3][CH:4]=[C:5]([c:8]2[cH:9][c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17][cH:18]2)[CH2:6][CH2:7]1)[C:27]([c:22]1[n:21][c:20]([Cl:19])[c:24]([CH2:25][CH3:26])[nH:23]1)=[O:28]