HRID192535

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-

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID88870

o-Toluic acid, 6-chloro-

C8H7ClO2

HCID130500

未命名化合物

结构：COC(=O)C(Cc1ccc(N2C(=O)C(Cc3ccccc3)N(C(C)=O)C2c2ccccc2)cc1)NC(=O)OC(C)(C)C

HCID22660148

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(N2C(=O)C(Cc3ccccc3)N(C(C)=O)C2c2ccccc2)cc1)NC(=O)c1c(C)cccc1Cl

HCID178499911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef0a4d8183f6413a81ed2f17d20653f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([N:20]2[CH:21]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[N:22]([C:33]([CH3:34])=[O:35])[CH:23]([CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[C:24]2=[O:25])[cH:18][cH:19]1)=[O:42].[CH3:99][CH2:100][O:101][C:102](=[O:103])[CH3:104].[CH:79]([N:80]([CH2:81][CH3:82])[CH:83]([CH3:84])[CH3:85])([CH3:86])[CH3:87].[Cl:44][c:45]1[c:46]([C:47]([OH:48])=[O:49])[c:50]([CH3:54])[cH:51][cH:52][cH:53]1.[ClH:43].[O:88]1[CH2:89][CH2:90][O:91][CH2:92][CH2:93]1.[O:94]=[CH:95][N:96]([CH3:97])[CH3:98].[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:62]1([O:63][C:64]([N:65]([CH3:66])[CH3:67])=[N+:68]([CH3:69])[CH3:70])[c:71]2[cH:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[c:46]1[c:45]([Cl:44])[cH:53][cH:52][cH:51][c:50]1[CH3:54])[CH2:13][c:14]1[cH:15][cH:16][c:17]([N:20]2[CH:21]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[N:22]([C:33]([CH3:34])=[O:35])[CH:23]([CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[C:24]2=[O:25])[cH:18][cH:19]1)=[O:42]