HRID101146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID2792792

6-Chloropyridine-3-sulfonyl chloride

C5H3Cl2NO2S

结构：CC(C)N(CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1)S(C)(=O)=O

HCID178457095

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(CC1CN(S(=O)(=O)c2ccc(Cl)nc2)CCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1)S(C)(=O)=O

HCID123395122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56aaf4303aa84aafab9bd37afd39fb37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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