HRID94559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6327

Chloromethane

CH3Cl

HCID6344

Dichloromethane

CH2Cl2

HCID24648

Sulfuryl chloride

Cl2O2S

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CC(C)S(=O)(=O)NCC(C)(F)c1ccc(-c2cccc(N)c2)cc1

HCID9863239

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NCC(C)(F)c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1

HCID22176578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-544577d62b8b4d52a4d445b80a9ed0d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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