HRID1148028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(=O)c1ccc(N2CCN(C(=O)c3cc(N)ccc3N3CCOCC3)CC2)c(F)c1

HCID44580511

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3N3CCOCC3)CC2)c(F)c1

HCID59793624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32ecd8dc19b74aba8acf2ecb75d1c651
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

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][S:40]([Cl:41])(=[O:42])=[O:43].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:6]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([F:24])[cH:17][c:18]([C:21]([CH3:22])=[O:23])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:25]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:50]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:6]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([F:24])[cH:17][c:18]([C:21]([CH3:22])=[O:23])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:25]1)[S:40]([CH3:39])(=[O:42])=[O:43]