HRID102096

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

HCID54920827

Methyl 4-[(3-amino-1H-pyrazol-1-yl)methyl]benzoate

C12H13N3O2

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：COC(=O)c1ccc(Cn2ccc(NC(=O)C(CC3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)n2)cc1

HCID67192358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26d738b0c87f471c8d20fd5f8ba15e30
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

[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[CH2:80]([Cl:81])[Cl:82].[CH3:55][O:56][C:57]([c:58]1[cH:59][cH:60][c:61]([CH2:64][n:65]2[cH:66][cH:67][c:68]([NH2:69])[n:70]2)[cH:62][cH:63]1)=[O:71].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[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].[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:72]1[c:73]([CH3:74])[cH:75][cH:76][cH:77][c:78]1[CH3:79]>>[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:61]3[cH:60][cH:59][c:58]([C:57]([O:56][CH3:55])=[O:71])[cH:63][cH:62]3)[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]