HRID679856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(NC(=O)c1cccc(-c2ccncc2N)c1)c1ccccc1

HCID59233715

未命名化合物

PRODUCTS

生成物

结构：CC(C)(NC(=O)c1cccc(-c2ccncc2NS(C)(=O)=O)c1)c1ccccc1

HCID59233750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-645b6e0858ef44c9845ec2cabad4aa0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:33][S:34](=[O:35])(=[O:36])[Cl:37].[Cl:56][CH2:57][Cl:58].[F-:38].[NH2:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1-[c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][C:14]([CH3:15])([CH3:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24][cH:25]1>>[NH:1]([c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1-[c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][C:14]([CH3:15])([CH3:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24][cH:25]1)[S:34]([CH3:33])(=[O:35])=[O:36]