HRID948890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F

HCID142176

N-Phenyltrifluoromethanesulfonimide

C8H5F6NO4S2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID166653

Hydride

H-

HCID178490902

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2ncc3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(Br)cnc32)cc1

HCID68760849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e282809ee9c4da1b7ee67617020ca10
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[c:3]([OH:20])[c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[n:9][cH:10]2.[CH3:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69].[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[Cl-:57].[F:23][C:24]([F:25])([F:26])[S:27]([N:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[S:35]([C:36]([F:37])([F:38])[F:39])(=[O:40])=[O:41])(=[O:42])=[O:43].[H-:21].[N:44]1([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[NH4+:58].[Na+:22].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:76]>>[Br:1][c:2]1[c:3]([N:47]2[CH2:46][CH2:45][N:44]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:49][CH2:48]2)[c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[n:9][cH:10]2