HRID174365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：Cn1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1

HCID67189692

未命名化合物

HCID67190745

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)CC(=O)n1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1

HCID67189955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff726fe96a5a4f8abe3c3dcf08f66d54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[CH2:76]([Cl:77])[Cl:78].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:41])[NH:42][c:43]2[cH:44][cH:45][n:46]([CH3:47])[n:48]2)[CH2:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54]2)[cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[CH3:38].[NH2:55][c:56]1[n:57][n:58]([C:61]([CH2:62][C:63]([CH3:64])([CH3:65])[OH:66])=[O:67])[cH:59][cH:60]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[n:68]1[c:69]([CH3:70])[cH:71][cH:72][cH:73][c:74]1[CH3:75]>>[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:41])[NH:55][c:56]2[n:57][n:58]([C:61]([CH2:62][C:63]([CH3:64])([CH3:65])[OH:66])=[O:67])[cH:59][cH:60]2)[CH2:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54]2)[cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[CH3:38]