HRID2329382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7917

Isopropyl chloroformate

C4H7ClO2

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1

HCID25204174

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1

HCID25138357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-609433b5fc3a4c1dbfed0ff170772012
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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