HRID2139750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2759108

(4-fluorophenyl)methanesulfonyl Chloride

C7H6ClFO2S

结构：CC1=C(C#N)C(c2ccc3c(c2)c(N)nn3C(=O)OC(C)(C)C)C(C#N)=C(C)N1

HCID24959832

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C#N)C(c2ccc3c(c2)c(NS(=O)(=O)Cc2ccc(F)cc2)nn3C(=O)OC(C)(C)C)C(C#N)=C(C)N1

HCID67023851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b32e666b80594ac29176f9d0b6adbad3
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

[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:49][CH2:50][Cl:51].[F:30][c:31]1[cH:32][cH:33][c:34]([CH2:37][S:38](=[O:39])(=[O:40])[Cl:41])[cH:35][cH:36]1.[NH2:1][c:2]1[n:3][n:4]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:5]2[cH:6][cH:7][c:8]([CH:11]3[C:12]([C:21]#[N:22])=[C:13]([CH3:20])[NH:14][C:15]([CH3:19])=[C:16]3[C:17]#[N:18])[cH:9][c:10]12>>[NH:1]([c:2]1[n:3][n:4]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:5]2[cH:6][cH:7][c:8]([CH:11]3[C:12]([C:21]#[N:22])=[C:13]([CH3:20])[NH:14][C:15]([CH3:19])=[C:16]3[C:17]#[N:18])[cH:9][c:10]12)[S:38]([CH2:37][c:34]1[cH:33][cH:32][c:31]([F:30])[cH:36][cH:35]1)(=[O:39])=[O:40]