HRID112871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COC(=O)C(N)Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1

HCID22613750

未命名化合物

HCID22613769

2-Chloro-6-ethylbenzoic acid

C9H9ClO2

PRODUCTS

生成物

结构：CCc1cccc(Cl)c1C(=O)NC(Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)C(=O)OC

HCID22613768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cebde0e48924d3ca8c7dd7787e29258
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

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