HRID2123826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID3614769

未命名化合物

结构：CS(=O)(=O)N(CC(=O)O)c1ccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1

HCID178505132

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)CN(c1ccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1)S(C)(=O)=O

HCID178484613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e146088e585a4d10a2c8434dfa0a2625
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[B-:51]([F:52])([F:53])([F:54])[F:55].[C:1](=[O:2])([OH:3])[CH2:4][N:5]([S:6](=[O:7])(=[O:8])[CH3:9])[c:10]1[cH:11][cH:12][c:13]([NH:16][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[C:24]2[C:25](=[O:36])[NH:26][c:27]3[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][c:32]32)[cH:14][cH:15]1.[CH2:73]([N:74]([CH:75]([CH3:76])[CH3:77])[CH:78]([CH3:79])[CH3:80])[CH3:81].[CH3:38][NH2+:39][CH3:40].[Cl-:37].[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1.[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[C:1](=[O:3])([CH2:4][N:5]([S:6](=[O:7])(=[O:8])[CH3:9])[c:10]1[cH:11][cH:12][c:13]([NH:16][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[C:24]2[C:25](=[O:36])[NH:26][c:27]3[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][c:32]32)[cH:14][cH:15]1)[N:39]([CH3:38])[CH3:40]