HRID1208681

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6372

Chlorodifluoromethane

CHClF2

HCID16028

Tetrabutylammonium

C16H36N+

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CCOC(Cc2cc(Br)ccc2O)C1

HCID72393000

未命名化合物

结构：CC(C)(C)OC(=O)N1CCOC(Cc2cccc(C=Cc3cccnc3)c2)C1

HCID77221556

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOC(Cc2cc(Br)ccc2OC(F)F)C1

HCID77221500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44bc6aa34f5b410aafb22f4be3733e46
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

[Br-:58].[C:25]([N:26]1[CH2:27][CH2:28][O:29][CH:30]([CH2:31][c:32]2[cH:33][cH:34][cH:35][c:36]([CH:37]=[CH:38][c:39]3[cH:40][n:41][cH:42][cH:43][cH:44]3)[cH:45]2)[CH2:46]1)([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52].[C:3](=[O:4])([O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[N:10]1[CH2:11][CH:12]([CH2:16][c:17]2[c:18]([OH:24])[cH:19][cH:20][c:21]([Br:23])[cH:22]2)[O:13][CH2:14][CH2:15]1.[CH2:59]([N+:60]([CH2:61][CH2:62][CH2:63][CH3:64])([CH2:65][CH2:66][CH2:67][CH3:68])[CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH3:75].[Cl:53][CH:54]([F:55])[F:56].[Na+:2].[O:76]1[CH2:77][CH2:78][O:79][CH2:80][CH2:81]1.[OH-:1].[OH2:57]>>[C:3](=[O:4])([O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[N:10]1[CH2:11][CH:12]([CH2:16][c:17]2[c:18]([O:24][CH:54]([F:55])[F:56])[cH:19][cH:20][c:21]([Br:23])[cH:22]2)[O:13][CH2:14][CH2:15]1