HRID137787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID14484

2-Acetamidoethanethiol

C4H9NOS

HCID75654

Diphenyl phosphorochloridate

C12H10ClO3P

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(OC(=O)OCc1ccc([N+](=O)[O-])cc1)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)CC12

HCID178459901

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCSC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(C(C)(C)OC(=O)OCc3ccc([N+](=O)[O-])cc3)C2C1

HCID178474921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f08761b0fd3541bd8699c9a492752b9e
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

[CH3:73][N:74]([c:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1)[CH3:81].[CH3:82][C:83]#[N:84].[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[O:1]=[C:2]1[CH:3]([C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([N+:37](=[O:38])[O-:39])[cH:35][cH:36]2)[N:4]2[C:5](=[O:26])[CH:6]([C:9]([CH3:10])([O:11][C:12](=[O:13])[O:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]3)[CH3:25])[CH:7]2[CH2:8]1.[P:49]([Cl:50])([O:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)([O:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)=[O:65].[SH:66][CH2:67][CH2:68][NH:69][C:70]([CH3:71])=[O:72]>>[C:2]1([S:66][CH2:67][CH2:68][NH:69][C:70]([CH3:71])=[O:72])=[C:3]([C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([N+:37](=[O:38])[O-:39])[cH:35][cH:36]2)[N:4]2[C:5](=[O:26])[CH:6]([C:9]([CH3:10])([O:11][C:12](=[O:13])[O:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]3)[CH3:25])[CH:7]2[CH2:8]1