HRID831214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：NCCN(C1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

HCID23121868

未命名化合物

HCID23121881

1,1-Diphenylhexahydro-3H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C18H18N2O2

PRODUCTS

生成物

结构：O=C(NCCN(C1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1

HCID23122026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed98d86bf5464c97b7cb07f2d53973b5
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

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