HRID685596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CCCC[P+](CCCC)(CCCC)Cc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C

HCID49783152

未命名化合物

HCID178502695

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)CC1CC(C=Cc2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)OC(C)(C)O1

HCID178502694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54065855a9174e16a7ea4910f6099106
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-:1].[C:60](=[O:61])([O-:62])[O-:63].[C:73]([O:74][CH2:75][CH3:76])(=[O:77])[CH3:78].[CH2:2]([P+:3]([CH2:4][CH2:5][CH2:6][CH3:30])([CH2:7][c:8]1[c:9](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[n:10][c:11]([N:17]([S:18](=[O:19])(=[O:20])[CH3:21])[CH3:22])[n:12][c:13]1[CH:14]([CH3:15])[CH3:16])[CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH3:37].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[CH:38](=[O:39])[CH:40]1[CH2:41][CH:42]([CH2:48][C:49](=[O:50])[N:51]([CH3:52])[O:53][CH3:54])[O:43][C:44]([CH3:46])([CH3:47])[O:45]1.[K+:64].[K+:65].[OH2:66]>>[CH:7]([c:8]1[c:9](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[n:10][c:11]([N:17]([S:18](=[O:19])(=[O:20])[CH3:21])[CH3:22])[n:12][c:13]1[CH:14]([CH3:15])[CH3:16])=[CH:38][CH:40]1[CH2:41][CH:42]([CH2:48][C:49](=[O:50])[N:51]([CH3:52])[O:53][CH3:54])[O:43][C:44]([CH3:46])([CH3:47])[O:45]1