HRID699659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID4128467

ethyl 3-(chlorosulfonyl)propanoate

C5H9ClO4S

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：CCOC(=O)CCS(=O)(=O)Nc1nn(C(=O)OC(C)(C)C)c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc12

HCID67354474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdf20ce1caf44910965da70001de5111
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

[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:30][S:31](=[O:32])(=[O:33])[CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40].[Cl:48][CH2:49][Cl:50].[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:31](=[O:32])(=[O:33])[CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40]