HRID308348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID96695

Quinoxaline-2-carboxylic acid

C9H6N2O2

结构：CC(C)CCC(CC(O)C(N)Cc1ccccc1)S(=O)(=O)c1ccccc1

HCID69687892

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCC(CC(O)C(Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)S(=O)(=O)c1ccccc1

HCID86585890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae93c5c490194f1eb10838685f64a4d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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