HRID179492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID350287

2-aminopropanamide

C3H8N2O

结构：CC(NS(=O)(=O)c1cnc2n1C(C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)O

HCID22596173

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C(C)NS(=O)(=O)c1cnc2n1C(C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(N)=O

HCID22596170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72f141937ab34dcd9c2ccf31dedbd510
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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