HRID1555888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID51358380

tert-Butyl 3-amino-1H-pyrazole-1-carboxylate

C8H13N3O2

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

HCID67188706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-204efe1ab6a241fb8da6fb339cde9c28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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](=[O:61])[n:62]1[n:63][c:64]([NH2:67])[cH:65][cH:66]1.[CH2:75]([Cl:76])[Cl:77].[CH3:68][N:69]1[CH2:70][CH2:71][O:72][CH2:73][CH2:74]1.[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[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].[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>>[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:41])[NH:67][c:64]2[n:63][n:62]([C:60]([O:59][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:61])[cH:66][cH:65]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]