HRID1142827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID82408

Isopropyl sulfonyl chloride

C3H7ClO2S

结构：CC(C)(C)OC(=O)N1CCN(c2ccccc2OC2CCCN(C(=O)OCc3ccccc3)C2)CC1

HCID69423160

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)N1CCCC(Oc2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)C1

HCID69420054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8967b9c8813842349903f1a29a4b1462
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([O:20][CH:21]3[CH2:22][N:23]([C:27]([O:28][CH2:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)=[O:36])[CH2:24][CH2:25][CH2:26]3)[cH:16][cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH2:61]([Cl:62])[Cl:63].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:53][OH:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:46]([CH3:47])([CH3:48])[S:49](=[O:50])(=[O:51])[Cl:52].[H:37][H:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([O:20][CH:21]3[CH2:22][N:23]([S:49]([CH:46]([CH3:47])[CH3:48])(=[O:50])=[O:51])[CH2:24][CH2:25][CH2:26]3)[cH:16][cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1