HRID99191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID19660

Carbonate

CO3-2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：N#Cc1nn(-c2c(Cl)cc(Br)cc2Cl)c(N)c1SC(F)(F)F

HCID15430816

未命名化合物

PRODUCTS

生成物

结构：N#Cc1nn(-c2c(Cl)cc(-c3ccc(C(F)(F)F)cc3)cc2Cl)c(N)c1SC(F)(F)F

HCID15430817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a13882687d7140e7a02ba8b7a0adab55
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

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