HRID697383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID127137

4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide

C8H2BrF7

HCID22341904

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1cc(NCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1OC(=O)C1CCCCC1

HCID10028645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c1272497de34555a5dfccb91579fce4
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

[CH2:37]([N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[F:20][c:21]1[c:22]([CH2:23][Br:24])[c:25]([F:35])[c:26]([F:34])[c:27]([C:30]([F:31])([F:32])[F:33])[c:28]1[F:29].[I-:36].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:11][C:12](=[O:13])[CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:11][C:12](=[O:13])[CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:6]([C:7](=[O:8])[OH:9])[cH:10]1)[CH2:23][c:22]1[c:21]([F:20])[c:28]([F:29])[c:27]([C:30]([F:31])([F:32])[F:33])[c:26]([F:34])[c:25]1[F:35]