HRID1564289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID82140

2-Aminoimidazole

C3H5N3

HCID130500

未命名化合物

HCID58483208

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ncc[nH]2)c1

HCID57382526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a073b81ee1274c6cae2c80ef819c7c1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[B-:30]([F:31])([F:32])([F:33])[F:34].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([CH2:11][NH:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[cH:9][cH:10]1.[NH2:24][c:25]1[nH:26][cH:27][cH:28][n:29]1.[OH2:61].[S:19]([OH:20])([OH:21])(=[O:22])=[O:23].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:24][c:25]2[nH:26][cH:27][cH:28][n:29]2)[cH:7][c:8]([CH2:11][NH:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[cH:9][cH:10]1