HRID675740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1cccnc1

HCID46556534

未命名化合物

结构：CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCI)ccc21

HCID68673750

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21

HCID68674244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-929a006c0da14974a370486a19d4fc4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:22](=[O:23])([O-:24])[O-:25].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[I:33][CH2:34][CH2:35][CH2:36][O:37][c:38]1[cH:39][c:40]2[c:41]([cH:53][cH:54]1)[N:42]([CH3:52])[C:43](=[O:51])[C:44]([CH3:49])([CH3:50])[C:45](=[O:48])[N:46]2[CH3:47].[K+:26].[K+:27].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[NH:13][CH2:14][CH2:15][c:16]2[cH:17][n:18][cH:19][cH:20][cH:21]2)[cH:6][cH:7][cH:8][cH:9]1.[O:28]=[CH:29][N:30]([CH3:31])[CH3:32].[OH2:61]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH2:15][c:16]2[cH:17][n:18][cH:19][cH:20][cH:21]2)[CH2:34][CH2:35][CH2:36][O:37][c:38]2[cH:39][c:40]3[c:41]([cH:53][cH:54]2)[N:42]([CH3:52])[C:43](=[O:51])[C:44]([CH3:49])([CH3:50])[C:45](=[O:48])[N:46]3[CH3:47])[cH:6][cH:7][cH:8][cH:9]1