HRID696786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

3 次

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

结构：COc1cc2[nH]cc(-c3cc4cc(F)cnc4n3S(=O)(=O)c3ccc(C)cc3)c2cc1OC

HCID67147579

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(-c3cc4cc(F)cnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCCl)c2cc1OC

HCID67147575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e876bf26bdd84ad5a38a25c862db2a93
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

[Br-:47].[C:36](=[O:37])([O-:38])[O-:39].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6](-[c:14]3[cH:15][c:16]4[c:17]([n:18][cH:19][c:20]([F:22])[cH:21]4)[n:23]3[S:24](=[O:25])(=[O:26])[c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]3)[cH:7][nH:8][c:9]2[cH:10][c:11]1[O:12][CH3:13].[CH3:42][OH:43].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[Cl:44][CH2:45][Cl:46].[Cl:65][CH2:66][CH2:67][Cl:68].[K+:35].[K+:40].[K+:41].[OH-:34]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6](-[c:14]3[cH:15][c:16]4[c:17]([n:18][cH:19][c:20]([F:22])[cH:21]4)[n:23]3[S:24](=[O:25])(=[O:26])[c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]3)[cH:7][n:8]([CH2:42][CH2:45][Cl:46])[c:9]2[cH:10][c:11]1[O:12][CH3:13]