HRID1213226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID24386

Thionyl chloride

Cl2OS

HCID3084598

未命名化合物

结构：N#Cc1cc(N)n(-c2c(Cl)c3c(F)c(F)c2OCO3)n1

HCID18691511

未命名化合物

PRODUCTS

生成物

结构：N#Cc1nn(-c2c(Cl)c3c(F)c(F)c2OCO3)c(N)c1SC(F)(F)F

HCID18691519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b4d72a1819d4c9399623f7c75da6e28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:40][NH:41][CH3:42].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[F:21][C:22]([S:23]([O-:24])=[O:25])([F:26])[F:27].[NH2:1][c:2]1[cH:3][c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[c:9]2[c:10]([F:17])[c:11]([F:16])[c:12]1[O:13][CH2:14][O:15]2.[Na+:28].[OH2:54].[OH:29][S:30]([c:31]1[cH:32][cH:33][c:34]([CH3:35])[cH:36][cH:37]1)(=[O:38])=[O:39].[S:43]([Cl:44])([Cl:45])=[O:46]>>[NH2:1][c:2]1[c:3]([S:23][C:22]([F:21])([F:26])[F:27])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[c:9]2[c:10]([F:17])[c:11]([F:16])[c:12]1[O:13][CH2:14][O:15]2