HRID837680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11667

Ethanesulfonyl chloride

C2H5ClO2S

结构：Cc1cc(NC(=O)Nc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2F)ccn1

HCID58919226

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccnc(C)c3)c2F)CC1

HCID23641745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e6283f67ff8417b833b5195a8c3ce8c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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