HRID144658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

HCID57904750

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

HCID57904952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88b8a564bb1c4c8185decf3b8ab0a138
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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