HRID834117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID62111572

1,1-Dimethylethyl 3-amino-1H-pyrazole-1-acetate

C9H15N3O2

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

HCID67189692

未命名化合物

PRODUCTS

生成物

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

HCID67193400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0ede60244b4482ea33a51c443744294
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[C:55]([CH3:56])([CH3:57])([CH3:58])[O:59][C:60]([CH2:61][n:62]1[cH:63][cH:64][c:65]([NH2:66])[n:67]1)=[O:68].[CH2:75]([Cl:76])[Cl:77].[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:41])[NH:42][c:43]2[n:44][n:45]([CH3:48])[cH:46][cH:47]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].[OH2:78].[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.[cH:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1>>[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:41])[NH:42][c:43]2[n:44][n:45]([CH2:48][C:60]([O:59][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:68])[cH:46][cH:47]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]